4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline

C42H29N3 — CID 20607981

IUPAC4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-29H
InChIKeyAMUPOHXNHYJAPT-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.35
Rot. Bonds5

About 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 20607981) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID20607981
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-29H
InChIKeyAMUPOHXNHYJAPT-UHFFFAOYSA-N
XLogP11.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 20607981) is 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is AMUPOHXNHYJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-29H.
What are the key properties of 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline has a molecular weight of 575.72 g/mol, XLogP of 11.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 20607981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).