2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C52H36N2 — CID 165383888

IUPAC2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(47-19-11-18-43(34-47)38-14-5-2-6-15-38)46-30-24-41(25-31-46)44-27-33-52-50(36-44)49-20-9-10-21-51(49)54(52)48-32-26-39-16-7-8-17-42(39)35-48/h1-36H/i24D,25D,30D,31D
InChIKeyWBCRLZDDKBXPOS-LAGJZNQNSA-N
MW692.90 g/mol
LogP14.41
Rot. Bonds7

About 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 165383888) has the molecular formula C52H36N2 and a molecular weight of 692.90 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID165383888
Molecular FormulaC52H36N2
Molecular Weight692.90 g/mol
Exact Mass692.31
IUPAC Name2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(47-19-11-18-43(34-47)38-14-5-2-6-15-38)46-30-24-41(25-31-46)44-27-33-52-50(36-44)49-20-9-10-21-51(49)54(52)48-32-26-39-16-7-8-17-42(39)35-48/h1-36H/i24D,25D,30D,31D
InChIKeyWBCRLZDDKBXPOS-LAGJZNQNSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.90
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-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 165384002
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165384299
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
CID 166581636
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 165383888) is 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c([2H])c([2H])c1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is WBCRLZDDKBXPOS-LAGJZNQNSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-12-37(13-4-1)40-22-28-45(29-23-40)53(47-19-11-18-43(34-47)38-14-5-2-6-15-38)46-30-24-41(25-31-46)44-27-33-52-50(36-44)49-20-9-10-21-51(49)54(52)48-32-26-39-16-7-8-17-42(39)35-48/h1-36H/i24D,25D,30D,31D.
What are the key properties of 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 692.90 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 165383888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).