N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine

C48H33N3 — CID 169009800

IUPACN,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
SMILESc1ccc(-c2cccc3c2c2c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N3/c1-5-17-34(18-6-1)39-26-15-28-44-47(39)48-45(29-16-30-46(48)51(44)37-23-11-4-12-24-37)49(35-19-7-2-8-20-35)38-31-32-43-41(33-38)40-25-13-14-27-42(40)50(43)36-21-9-3-10-22-36/h1-33H
InChIKeyTUCNFXMFOBGMDS-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.02
Rot. Bonds6

About N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine

N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine (PubChem CID 169009800) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine.

Molecular Properties

Compound NameN,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
PubChem CID169009800
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC NameN,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
SMILESc1ccc(-c2cccc3c2c2c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N3/c1-5-17-34(18-6-1)39-26-15-28-44-47(39)48-45(29-16-30-46(48)51(44)37-23-11-4-12-24-37)49(35-19-7-2-8-20-35)38-31-32-43-41(33-38)40-25-13-14-27-42(40)50(43)36-21-9-3-10-22-36/h1-33H
InChIKeyTUCNFXMFOBGMDS-UHFFFAOYSA-N
XLogP13.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115

Frequently Asked Questions

What is the IUPAC name of N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The IUPAC name of N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine (CID 169009800) is N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine.
What is the SMILES notation for N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The canonical SMILES for N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine is c1ccc(-c2cccc3c2c2c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The InChIKey is TUCNFXMFOBGMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-5-17-34(18-6-1)39-26-15-28-44-47(39)48-45(29-16-30-46(48)51(44)37-23-11-4-12-24-37)49(35-19-7-2-8-20-35)38-31-32-43-41(33-38)40-25-13-14-27-42(40)50(43)36-21-9-3-10-22-36/h1-33H.
What are the key properties of N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine?
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine has a molecular weight of 651.81 g/mol, XLogP of 13.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine is sourced from PubChem (CID 169009800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).