4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline

C48H33N3 — CID 135225138

IUPAC4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C48H33N3/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)39-31-29-34(30-32-39)42-33-43-40-25-13-15-27-44(40)50(37-21-9-3-10-22-37)48(43)46-41-26-14-16-28-45(41)51(47(42)46)38-23-11-4-12-24-38/h1-33H
InChIKeyRAXOEFFOUIZKIL-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.02
Rot. Bonds6

About 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline

4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline (PubChem CID 135225138) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
PubChem CID135225138
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C48H33N3/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)39-31-29-34(30-32-39)42-33-43-40-25-13-15-27-44(40)50(37-21-9-3-10-22-37)48(43)46-41-26-14-16-28-45(41)51(47(42)46)38-23-11-4-12-24-38/h1-33H
InChIKeyRAXOEFFOUIZKIL-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,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
CID 146296558
2,3,4,5,6-pentadeuterio-N-[4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)phenyl]-N-phenylaniline
CID 90126241
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-[4-(18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139505661
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140

Frequently Asked Questions

What is the IUPAC name of 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline (CID 135225138) is 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline?
The InChIKey is RAXOEFFOUIZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)39-31-29-34(30-32-39)42-33-43-40-25-13-15-27-44(40)50(37-21-9-3-10-22-37)48(43)46-41-26-14-16-28-45(41)51(47(42)46)38-23-11-4-12-24-38/h1-33H.
What are the key properties of 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline?
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline 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 4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline is sourced from PubChem (CID 135225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).