9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole

C60H40N2 — CID 165386118

IUPAC9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-5-19-41(20-6-1)47-37-35-45(39-53(47)43-23-9-3-10-24-43)61-55-31-15-13-27-51(55)59-49(29-17-33-57(59)61)50-30-18-34-58-60(50)52-28-14-16-32-56(52)62(58)46-36-38-48(42-21-7-2-8-22-42)54(40-46)44-25-11-4-12-26-44/h1-40H
InChIKeyCPFBPFHFOUVRTG-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole

9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole (PubChem CID 165386118) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
PubChem CID165386118
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-5-19-41(20-6-1)47-37-35-45(39-53(47)43-23-9-3-10-24-43)61-55-31-15-13-27-51(55)59-49(29-17-33-57(59)61)50-30-18-34-58-60(50)52-28-14-16-32-56(52)62(58)46-36-38-48(42-21-7-2-8-22-42)54(40-46)44-25-11-4-12-26-44/h1-40H
InChIKeyCPFBPFHFOUVRTG-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

4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[3-(2-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(2-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167707208
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
4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 171458068
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 164840555
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334200

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole?
The IUPAC name of 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole (CID 165386118) is 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cccc43)cc2-c2ccccc2)cc1.
What is the InChIKey of 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole?
The InChIKey is CPFBPFHFOUVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-19-41(20-6-1)47-37-35-45(39-53(47)43-23-9-3-10-24-43)61-55-31-15-13-27-51(55)59-49(29-17-33-57(59)61)50-30-18-34-58-60(50)52-28-14-16-32-56(52)62(58)46-36-38-48(42-21-7-2-8-22-42)54(40-46)44-25-11-4-12-26-44/h1-40H.
What are the key properties of 9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole?
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-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-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 165386118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).