[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine

C44H32N2 — CID 121356030

IUPAC[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-n2c3cc(-c4ccccc4)ccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H32N2/c45-29-30-13-12-20-35(25-30)46-42-26-32(31-14-4-1-5-15-31)23-24-37(42)39-27-41-38(28-43(39)46)36-21-10-11-22-40(36)44(41,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H,29,45H2
InChIKeyZPIJCDPJWQMDAT-UHFFFAOYSA-N
MW588.75 g/mol
LogP10.27
Rot. Bonds5

About [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine

[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine (PubChem CID 121356030) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine
PubChem CID121356030
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-n2c3cc(-c4ccccc4)ccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C44H32N2/c45-29-30-13-12-20-35(25-30)46-42-26-32(31-14-4-1-5-15-31)23-24-37(42)39-27-41-38(28-43(39)46)36-21-10-11-22-40(36)44(41,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H,29,45H2
InChIKeyZPIJCDPJWQMDAT-UHFFFAOYSA-N
XLogP10.27
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
11,11-diphenyl-5-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]indeno[1,2-b]carbazole
CID 138553243
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005

Frequently Asked Questions

What is the IUPAC name of [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine?
The IUPAC name of [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine (CID 121356030) is [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine is NCc1cccc(-n2c3cc(-c4ccccc4)ccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine?
The InChIKey is ZPIJCDPJWQMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c45-29-30-13-12-20-35(25-30)46-42-26-32(31-14-4-1-5-15-31)23-24-37(42)39-27-41-38(28-43(39)46)36-21-10-11-22-40(36)44(41,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-28H,29,45H2.
What are the key properties of [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine?
[3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine has a molecular weight of 588.75 g/mol, XLogP of 10.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,11,11-triphenylindeno[1,2-b]carbazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 121356030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).