5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole

C60H39N3 — CID 171596813

IUPAC5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N3/c1-3-19-40(20-4-1)41-37-38-56-50(39-41)60-48(29-17-35-57(60)61(56)42-21-5-2-6-22-42)47-28-18-36-58-59(47)49-27-11-16-34-55(49)63(58)54-33-15-10-26-46(54)45-25-9-14-32-53(45)62-51-30-12-7-23-43(51)44-24-8-13-31-52(44)62/h1-39H
InChIKeyHTYHKACBDAYDMD-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole

5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole (PubChem CID 171596813) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole.

Molecular Properties

Compound Name5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
PubChem CID171596813
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N3/c1-3-19-40(20-4-1)41-37-38-56-50(39-41)60-48(29-17-35-57(60)61(56)42-21-5-2-6-22-42)47-28-18-36-58-59(47)49-27-11-16-34-55(49)63(58)54-33-15-10-26-46(54)45-25-9-14-32-53(45)62-51-30-12-7-23-43(51)44-24-8-13-31-52(44)62/h1-39H
InChIKeyHTYHKACBDAYDMD-UHFFFAOYSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
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
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
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
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole?
The IUPAC name of 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole (CID 171596813) is 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole.
What is the SMILES notation for 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole?
The canonical SMILES for 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2c(-c4cccc5c4c4ccccc4n5-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole?
The InChIKey is HTYHKACBDAYDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-19-40(20-4-1)41-37-38-56-50(39-41)60-48(29-17-35-57(60)61(56)42-21-5-2-6-22-42)47-28-18-36-58-59(47)49-27-11-16-34-55(49)63(58)54-33-15-10-26-46(54)45-25-9-14-32-53(45)62-51-30-12-7-23-43(51)44-24-8-13-31-52(44)62/h1-39H.
What are the key properties of 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole?
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole is sourced from PubChem (CID 171596813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).