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

C60H40N2 — CID 170072812

IUPAC3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-15-26-50(36-45)61-58-34-32-47(40-55(58)60-52(28-16-30-59(60)61)44-23-11-4-12-24-44)46-31-33-57-54(39-46)53-27-13-14-29-56(53)62(57)51-37-48(42-19-7-2-8-20-42)35-49(38-51)43-21-9-3-10-22-43/h1-40H
InChIKeyPELVZJALHFFHGZ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

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

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 170072812) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
PubChem CID170072812
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-15-26-50(36-45)61-58-34-32-47(40-55(58)60-52(28-16-30-59(60)61)44-23-11-4-12-24-44)46-31-33-57-54(39-46)53-27-13-14-29-56(53)62(57)51-37-48(42-19-7-2-8-20-42)35-49(38-51)43-21-9-3-10-22-43/h1-40H
InChIKeyPELVZJALHFFHGZ-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

9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
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-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
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-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole (CID 170072812) is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole?
The InChIKey is PELVZJALHFFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-17-41(18-6-1)45-25-15-26-50(36-45)61-58-34-32-47(40-55(58)60-52(28-16-30-59(60)61)44-23-11-4-12-24-44)46-31-33-57-54(39-46)53-27-13-14-29-56(53)62(57)51-37-48(42-19-7-2-8-20-42)35-49(38-51)43-21-9-3-10-22-43/h1-40H.
What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole?
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)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 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 170072812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).