2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C202H142N8 — CID 167703533

IUPAC2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c(N(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c6[2H])c([2H])c5[2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cccc(-c3ccccc3)c2)c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H40N2.3C48H34N2/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-35-49(36-31-44)59(55-23-11-9-21-51(55)46-16-5-2-6-17-46)50-37-32-45(33-38-50)48-34-39-58-54(40-48)53-22-10-12-24-57(53)60(58)56-25-13-19-47-18-7-8-20-52(47)56;3*1-4-13-35(14-5-1)37-23-30-43(31-24-37)50-47-22-11-10-21-45(47)46-34-40(27-32-48(46)50)38-25-28-42(29-26-38)49(41-18-8-3-9-19-41)44-20-12-17-39(33-44)36-15-6-2-7-16-36/h1-40H;3*1-34H/i32D,33D,37D,38D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D;2D,3D,6D,7D,8D,9D,12D,15D,16D,17D,18D,19D,20D,25D,26D,28D,29D,33D;3D,8D,9D,18D,19D,25D,26D,28D,29D
InChIKeyYTGRFSZKKAUREZ-NDFMUOCQSA-N
MW2746.81 g/mol
LogP55.84
Rot. Bonds29

About 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167703533) has the molecular formula C202H142N8 and a molecular weight of 2746.81 g/mol. Its IUPAC name is 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167703533
Molecular FormulaC202H142N8
Molecular Weight2746.81 g/mol
Exact Mass2744.54
IUPAC Name2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c(N(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c6[2H])c([2H])c5[2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cccc(-c3ccccc3)c2)c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C58H40N2.3C48H34N2/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-35-49(36-31-44)59(55-23-11-9-21-51(55)46-16-5-2-6-17-46)50-37-32-45(33-38-50)48-34-39-58-54(40-48)53-22-10-12-24-57(53)60(58)56-25-13-19-47-18-7-8-20-52(47)56;3*1-4-13-35(14-5-1)37-23-30-43(31-24-37)50-47-22-11-10-21-45(47)46-34-40(27-32-48(46)50)38-25-28-42(29-26-38)49(41-18-8-3-9-19-41)44-20-12-17-39(33-44)36-15-6-2-7-16-36/h1-40H;3*1-34H/i32D,33D,37D,38D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D;2D,3D,6D,7D,8D,9D,12D,15D,16D,17D,18D,19D,20D,25D,26D,28D,29D,33D;3D,8D,9D,18D,19D,25D,26D,28D,29D
InChIKeyYTGRFSZKKAUREZ-NDFMUOCQSA-N
XLogP55.84
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002746.81
LogP ≤ 555.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 167551772
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167562102
2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165383932
2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384132
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167679487
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384192
2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165383861
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167606755
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine;3,4,5,6,7,8-hexadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)carbazol-3-yl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-9,9-bis(trideuteriomethyl)fluoren-2-amine;3,4,5,6,7,8-hexadeuterio-N-[2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-9,9-bis(trideuteriomethyl)fluoren-2-amine;2,3,5,6-tetradeuterio-N-(2,4-diphenylphenyl)-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167642167
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384217
2,3,5,6-tetradeuterio-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4-trideuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384011
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167703533) is 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c(N(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])c6[2H])c([2H])c5[2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)c([2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(N(c2cccc(-c3ccccc3)c2)c2c([2H])c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is YTGRFSZKKAUREZ-NDFMUOCQSA-N. The full InChI is InChI=1S/C58H40N2.3C48H34N2/c1-3-14-41(15-4-1)42-26-28-43(29-27-42)44-30-35-49(36-31-44)59(55-23-11-9-21-51(55)46-16-5-2-6-17-46)50-37-32-45(33-38-50)48-34-39-58-54(40-48)53-22-10-12-24-57(53)60(58)56-25-13-19-47-18-7-8-20-52(47)56;3*1-4-13-35(14-5-1)37-23-30-43(31-24-37)50-47-22-11-10-21-45(47)46-34-40(27-32-48(46)50)38-25-28-42(29-26-38)49(41-18-8-3-9-19-41)44-20-12-17-39(33-44)36-15-6-2-7-16-36/h1-40H;3*1-34H/i32D,33D,37D,38D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D;2D,3D,6D,7D,8D,9D,12D,15D,16D,17D,18D,19D,20D,25D,26D,28D,29D,33D;3D,8D,9D,18D,19D,25D,26D,28D,29D.
What are the key properties of 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 2746.81 g/mol, XLogP of 55.84, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentadeuterio-N-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167703533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).