N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine

C48H33N3 — CID 134369862

IUPACN,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N3/c1-5-16-36(17-6-1)49(37-18-7-2-8-19-37)46-26-15-27-47-48(46)42-33-35(29-31-45(42)51(47)39-22-11-4-12-23-39)34-28-30-44-41(32-34)40-24-13-14-25-43(40)50(44)38-20-9-3-10-21-38/h1-33H
InChIKeyZMUDDUXMTJXSAB-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.02
Rot. Bonds6

About N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine

N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine (PubChem CID 134369862) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine.

Molecular Properties

Compound NameN,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
PubChem CID134369862
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC NameN,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H33N3/c1-5-16-36(17-6-1)49(37-18-7-2-8-19-37)46-26-15-27-47-48(46)42-33-35(29-31-45(42)51(47)39-22-11-4-12-23-39)34-28-30-44-41(32-34)40-24-13-14-25-43(40)50(44)38-20-9-3-10-21-38/h1-33H
InChIKeyZMUDDUXMTJXSAB-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

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 177077786
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716

Frequently Asked Questions

What is the IUPAC name of N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The IUPAC name of N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine (CID 134369862) is N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine.
What is the SMILES notation for N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The canonical SMILES for N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine?
The InChIKey is ZMUDDUXMTJXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-5-16-36(17-6-1)49(37-18-7-2-8-19-37)46-26-15-27-47-48(46)42-33-35(29-31-45(42)51(47)39-22-11-4-12-23-39)34-28-30-44-41(32-34)40-24-13-14-25-43(40)50(44)38-20-9-3-10-21-38/h1-33H.
What are the key properties of N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine?
N,N,9-triphenyl-6-(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,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine is sourced from PubChem (CID 134369862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).