5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

C54H35N3 — CID 177113345

IUPAC5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H35N3/c1-4-15-36(16-5-1)42-23-14-26-53-54(42)47-34-38(28-31-52(47)56(53)40-19-8-3-9-20-40)37-27-30-50-45(33-37)43-21-10-13-25-49(43)57(50)41-29-32-51-46(35-41)44-22-11-12-24-48(44)55(51)39-17-6-2-7-18-39/h1-35H
InChIKeyGBXCGYNRPRFAFF-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (PubChem CID 177113345) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
PubChem CID177113345
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H35N3/c1-4-15-36(16-5-1)42-23-14-26-53-54(42)47-34-38(28-31-52(47)56(53)40-19-8-3-9-20-40)37-27-30-50-45(33-37)43-21-10-13-25-49(43)57(50)41-29-32-51-46(35-41)44-22-11-12-24-48(44)55(51)39-17-6-2-7-18-39/h1-35H
InChIKeyGBXCGYNRPRFAFF-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
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
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
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-(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
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123
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

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The IUPAC name of 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (CID 177113345) is 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is c1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The InChIKey is GBXCGYNRPRFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-15-36(16-5-1)42-23-14-26-53-54(42)47-34-38(28-31-52(47)56(53)40-19-8-3-9-20-40)37-27-30-50-45(33-37)43-21-10-13-25-49(43)57(50)41-29-32-51-46(35-41)44-22-11-12-24-48(44)55(51)39-17-6-2-7-18-39/h1-35H.
What are the key properties of 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 177113345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).