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

C39H30N4S — CID 144816286

IUPAC[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1sccc1N=C
InChIInChI=1S/C21H16N2.C18H14N2S/c1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15;1-20-16-11-12-21-18(16)17(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-14H,1H3;2-12,19H,1H2/b;19-17+
InChIKeyXXBQTDWMNNZNNI-YFEKSWFOSA-N
MW586.76 g/mol
LogP10.44
Rot. Bonds5

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

[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 144816286) has the molecular formula C39H30N4S and a molecular weight of 586.76 g/mol. Its IUPAC name is [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID144816286
Molecular FormulaC39H30N4S
Molecular Weight586.76 g/mol
Exact Mass586.22
IUPAC Name[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1sccc1N=C
InChIInChI=1S/C21H16N2.C18H14N2S/c1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15;1-20-16-11-12-21-18(16)17(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-14H,1H3;2-12,19H,1H2/b;19-17+
InChIKeyXXBQTDWMNNZNNI-YFEKSWFOSA-N
XLogP10.44
TPSA46.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.76
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
CID 144816202
(Z)-1-[2-(methylideneamino)-1-phenylpyrrol-3-yl]-1-(4-phenylphenyl)-N-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)methyl]methanimine
CID 144816213
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
3,7-diphenylpyrrolo[3,2-a]carbazol-10-amine
CID 90090983
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
N-[4-(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-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
N-[phenyl-[(3-phenylpyrrolo[3,2-a]carbazol-10-yl)amino]methylidene]benzenecarboximidamide
CID 144777356
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
N-[4-(10,19-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-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
3-phenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314949

Frequently Asked Questions

What is the IUPAC name of [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole (CID 144816286) is [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole is Cn1c2ccccc2c2ccc3c(ccn3-c3ccccc3)c21.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1sccc1N=C.
What is the InChIKey of [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is XXBQTDWMNNZNNI-YFEKSWFOSA-N. The full InChI is InChI=1S/C21H16N2.C18H14N2S/c1-22-19-10-6-5-9-16(19)17-11-12-20-18(21(17)22)13-14-23(20)15-7-3-2-4-8-15;1-20-16-11-12-21-18(16)17(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-14H,1H3;2-12,19H,1H2/b;19-17+.
What are the key properties of [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole?
[3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 586.76 g/mol, XLogP of 10.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylideneamino)thiophen-2-yl]-(4-phenylphenyl)methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 144816286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).