9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole

C60H40N2 — CID 170073009

IUPAC9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c(-c8ccc(-c9ccccc9)cc8)cccc6n7-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-13-41(14-5-1)43-23-25-45(26-24-43)46-31-35-51(36-32-46)61-56-21-11-10-19-53(56)54-39-48(33-37-57(54)61)49-34-38-58-55(40-49)60-52(20-12-22-59(60)62(58)50-17-8-3-9-18-50)47-29-27-44(28-30-47)42-15-6-2-7-16-42/h1-40H
InChIKeyLVFAZRHPGGIZAZ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole

9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 170073009) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
PubChem CID170073009
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c(-c8ccc(-c9ccccc9)cc8)cccc6n7-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-13-41(14-5-1)43-23-25-45(26-24-43)46-31-35-51(36-32-46)61-56-21-11-10-19-53(56)54-39-48(33-37-57(54)61)49-34-38-58-55(40-49)60-52(20-12-22-59(60)62(58)50-17-8-3-9-18-50)47-29-27-44(28-30-47)42-15-6-2-7-16-42/h1-40H
InChIKeyLVFAZRHPGGIZAZ-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

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-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 139319655
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole (CID 170073009) is 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c(-c8ccc(-c9ccccc9)cc8)cccc6n7-c6ccccc6)ccc54)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is LVFAZRHPGGIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-13-41(14-5-1)43-23-25-45(26-24-43)46-31-35-51(36-32-46)61-56-21-11-10-19-53(56)54-39-48(33-37-57(54)61)49-34-38-58-55(40-49)60-52(20-12-22-59(60)62(58)50-17-8-3-9-18-50)47-29-27-44(28-30-47)42-15-6-2-7-16-42/h1-40H.
What are the key properties of 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole?
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]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 9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170073009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).