5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole

C60H40N2 — CID 134369790

IUPAC5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-13-27-49(37-45)61-55-35-33-47(39-53(55)59-51(29-15-31-57(59)61)43-21-9-3-10-22-43)48-34-36-56-54(40-48)60-52(44-23-11-4-12-24-44)30-16-32-58(60)62(56)50-28-14-26-46(38-50)42-19-7-2-8-20-42/h1-40H
InChIKeyDYNPNXVPMSXGRI-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole

5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 134369790) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID134369790
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-13-27-49(37-45)61-55-35-33-47(39-53(55)59-51(29-15-31-57(59)61)43-21-9-3-10-22-43)48-34-36-56-54(40-48)60-52(44-23-11-4-12-24-44)30-16-32-58(60)62(56)50-28-14-26-46(38-50)42-19-7-2-8-20-42/h1-40H
InChIKeyDYNPNXVPMSXGRI-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072788
3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole;3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;3-[4-[9-(2,5-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 159801805

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 134369790) is 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is DYNPNXVPMSXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-13-27-49(37-45)61-55-35-33-47(39-53(55)59-51(29-15-31-57(59)61)43-21-9-3-10-22-43)48-34-36-56-54(40-48)60-52(44-23-11-4-12-24-44)30-16-32-58(60)62(56)50-28-14-26-46(38-50)42-19-7-2-8-20-42/h1-40H.
What are the key properties of 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole?
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 134369790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).