N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

C60H41N3 — CID 169009785

IUPACN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H41N3/c1-6-19-42(20-7-1)45-33-37-56-53(39-45)54-40-48(35-38-57(54)62(56)46-25-12-4-13-26-46)61(55-31-17-16-29-50(55)43-21-8-2-9-22-43)49-34-36-52-59(41-49)63(47-27-14-5-15-28-47)58-32-18-30-51(60(52)58)44-23-10-3-11-24-44/h1-41H
InChIKeyKZCIPLIZQARMFG-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

About N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 169009785) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID169009785
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H41N3/c1-6-19-42(20-7-1)45-33-37-56-53(39-45)54-40-48(35-38-57(54)62(56)46-25-12-4-13-26-46)61(55-31-17-16-29-50(55)43-21-8-2-9-22-43)49-34-36-52-59(41-49)63(47-27-14-5-15-28-47)58-32-18-30-51(60(52)58)44-23-10-3-11-24-44/h1-41H
InChIKeyKZCIPLIZQARMFG-UHFFFAOYSA-N
XLogP16.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[2,3-b]indol-2-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,5,6-triphenyl-N-(2-phenylphenyl)indolo[2,3-b]indol-3-amine
CID 158019802
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943

Frequently Asked Questions

What is the IUPAC name of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 169009785) is N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc3c(c2)c2cc(N(c4ccc5c6c(-c7ccccc7)cccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is KZCIPLIZQARMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-6-19-42(20-7-1)45-33-37-56-53(39-45)54-40-48(35-38-57(54)62(56)46-25-12-4-13-26-46)61(55-31-17-16-29-50(55)43-21-8-2-9-22-43)49-34-36-52-59(41-49)63(47-27-14-5-15-28-47)58-32-18-30-51(60(52)58)44-23-10-3-11-24-44/h1-41H.
What are the key properties of N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 804.01 g/mol, XLogP of 16.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).