(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole

C45H34N4S — CID 144816202

IUPAC(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cscc1N=C
InChIInChI=1S/C24H18N2S.C21H16N2/c1-26-23-16-27-15-22(23)24(25)21-13-19(17-8-4-2-5-9-17)12-20(14-21)18-10-6-3-7-11-18;1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15/h2-16,25H,1H2;2-14H,1H3/b25-24+;
InChIKeyABWOGUBJHHJAAW-QREUMGABSA-N
MW662.86 g/mol
LogP12.11
Rot. Bonds6

About (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole

(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 144816202) has the molecular formula C45H34N4S and a molecular weight of 662.86 g/mol. Its IUPAC name is (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID144816202
Molecular FormulaC45H34N4S
Molecular Weight662.86 g/mol
Exact Mass662.25
IUPAC Name(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cscc1N=C
InChIInChI=1S/C24H18N2S.C21H16N2/c1-26-23-16-27-15-22(23)24(25)21-13-19(17-8-4-2-5-9-17)12-20(14-21)18-10-6-3-7-11-18;1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15/h2-16,25H,1H2;2-14H,1H3/b25-24+;
InChIKeyABWOGUBJHHJAAW-QREUMGABSA-N
XLogP12.11
TPSA46.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.86
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole 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

[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
CID 144816286
(Z)-1-[2-(methylideneamino)-1-phenylpyrrol-3-yl]-1-(4-phenylphenyl)-N-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)methyl]methanimine
CID 144816213
[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine
CID 144816255
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
3,7-diphenylpyrrolo[3,2-a]carbazol-10-amine
CID 90090983
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide
CID 144777356

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole (CID 144816202) is (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole is Cn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cscc1N=C.
What is the InChIKey of (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is ABWOGUBJHHJAAW-QREUMGABSA-N. The full InChI is InChI=1S/C24H18N2S.C21H16N2/c1-26-23-16-27-15-22(23)24(25)21-13-19(17-8-4-2-5-9-17)12-20(14-21)18-10-6-3-7-11-18;1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15/h2-16,25H,1H2;2-14H,1H3/b25-24+;.
What are the key properties of (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 662.86 g/mol, XLogP of 12.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 144816202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).