3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C168H110N8 — CID 164976427

IUPAC3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C60H40N2.2C54H35N3/c1-5-19-41(20-6-1)47-29-17-30-48(42-21-7-2-8-22-42)59(47)45-35-37-57-53(39-45)54-40-46(61-55-33-15-13-27-51(55)52-28-14-16-34-56(52)61)36-38-58(54)62(57)60-49(43-23-9-3-10-24-43)31-18-32-50(60)44-25-11-4-12-26-44;1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-52-32-30-38(55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55)34-46(52)47-35-39(31-33-53(47)57)56-50-28-13-9-22-44(50)45-23-10-14-29-51(45)56;1-2-16-36(17-3-1)40-25-15-26-41(37-18-14-19-38(34-37)55-48-27-9-4-20-42(48)43-21-5-10-28-49(43)55)54(40)57-52-31-13-8-24-46(52)47-35-39(32-33-53(47)57)56-50-29-11-6-22-44(50)45-23-7-12-30-51(45)56/h1-40H;2*1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,26D;1D,2D,3D,4D,5D,6D,16D,17D,18D,19D;1D,2D,3D,16D,17D
InChIKeyDVTCMKKYMFUTQT-JYLQCKKNSA-N
MW2276.00 g/mol
LogP44.84
Rot. Bonds17

About 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 164976427) has the molecular formula C168H110N8 and a molecular weight of 2276.00 g/mol. Its IUPAC name is 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID164976427
Molecular FormulaC168H110N8
Molecular Weight2276.00 g/mol
Exact Mass2274.11
IUPAC Name3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C60H40N2.2C54H35N3/c1-5-19-41(20-6-1)47-29-17-30-48(42-21-7-2-8-22-42)59(47)45-35-37-57-53(39-45)54-40-46(61-55-33-15-13-27-51(55)52-28-14-16-34-56(52)61)36-38-58(54)62(57)60-49(43-23-9-3-10-24-43)31-18-32-50(60)44-25-11-4-12-26-44;1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-52-32-30-38(55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55)34-46(52)47-35-39(31-33-53(47)57)56-50-28-13-9-22-44(50)45-23-10-14-29-51(45)56;1-2-16-36(17-3-1)40-25-15-26-41(37-18-14-19-38(34-37)55-48-27-9-4-20-42(48)43-21-5-10-28-49(43)55)54(40)57-52-31-13-8-24-46(52)47-35-39(32-33-53(47)57)56-50-29-11-6-22-44(50)45-23-7-12-30-51(45)56/h1-40H;2*1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,26D;1D,2D,3D,4D,5D,6D,16D,17D,18D,19D;1D,2D,3D,16D,17D
InChIKeyDVTCMKKYMFUTQT-JYLQCKKNSA-N
XLogP44.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002276.00
LogP ≤ 544.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole with MolForge

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Related Compounds

3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164756668
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
3-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;4-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 165068222
2-[3-(2,6-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[b][1,4]benzazasiline
CID 164756570
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744
3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
CID 158198948
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 177077225
3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164950108
triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane
CID 164756622
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 164976427) is 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([2H])c1[2H].
What is the InChIKey of 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is DVTCMKKYMFUTQT-JYLQCKKNSA-N. The full InChI is InChI=1S/C60H40N2.2C54H35N3/c1-5-19-41(20-6-1)47-29-17-30-48(42-21-7-2-8-22-42)59(47)45-35-37-57-53(39-45)54-40-46(61-55-33-15-13-27-51(55)52-28-14-16-34-56(52)61)36-38-58(54)62(57)60-49(43-23-9-3-10-24-43)31-18-32-50(60)44-25-11-4-12-26-44;1-3-16-36(17-4-1)40-24-15-25-41(37-18-5-2-6-19-37)54(40)57-52-32-30-38(55-48-26-11-7-20-42(48)43-21-8-12-27-49(43)55)34-46(52)47-35-39(31-33-53(47)57)56-50-28-13-9-22-44(50)45-23-10-14-29-51(45)56;1-2-16-36(17-3-1)40-25-15-26-41(37-18-14-19-38(34-37)55-48-27-9-4-20-42(48)43-21-5-10-28-49(43)55)54(40)57-52-31-13-8-24-46(52)47-35-39(32-33-53(47)57)56-50-29-11-6-22-44(50)45-23-7-12-30-51(45)56/h1-40H;2*1-35H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,19D,20D,21D,22D,23D,24D,25D,26D;1D,2D,3D,4D,5D,6D,16D,17D,18D,19D;1D,2D,3D,16D,17D.
What are the key properties of 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 2276.00 g/mol, XLogP of 44.84, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 164976427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).