(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine

C37H35N5 — CID 143370230

IUPAC(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine
SMILESC=C/C=c1\c(=C)c2ccccc2n1C(C)/N=C(\N=C(/C)n1c2ccccc2c2ccccc21)N(CC)c1ccccc1
InChIInChI=1S/C37H35N5/c1-6-17-33-26(3)30-20-11-14-23-34(30)41(33)27(4)38-37(40(7-2)29-18-9-8-10-19-29)39-28(5)42-35-24-15-12-21-31(35)32-22-13-16-25-36(32)42/h6,8-25,27H,1,3,7H2,2,4-5H3/b33-17+,38-37+,39-28+
InChIKeyBFYPUODYEKQKCP-HSGGAWICSA-N
MW549.72 g/mol
LogP7.49
Rot. Bonds5

About (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine

(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine (PubChem CID 143370230) has the molecular formula C37H35N5 and a molecular weight of 549.72 g/mol. Its IUPAC name is (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine
PubChem CID143370230
Molecular FormulaC37H35N5
Molecular Weight549.72 g/mol
Exact Mass549.29
IUPAC Name(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine
SMILESC=C/C=c1\c(=C)c2ccccc2n1C(C)/N=C(\N=C(/C)n1c2ccccc2c2ccccc21)N(CC)c1ccccc1
InChIInChI=1S/C37H35N5/c1-6-17-33-26(3)30-20-11-14-23-34(30)41(33)27(4)38-37(40(7-2)29-18-9-8-10-19-29)39-28(5)42-35-24-15-12-21-31(35)32-22-13-16-25-36(32)42/h6,8-25,27H,1,3,7H2,2,4-5H3/b33-17+,38-37+,39-28+
InChIKeyBFYPUODYEKQKCP-HSGGAWICSA-N
XLogP7.49
TPSA37.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine 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

(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875
N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline
CID 123438104
9-hepta-2,4,6-trien-2-ylcarbazole
CID 123951292
9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
CID 89037399
4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
CID 145151690
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
1-carbazol-9-ylethanone;ethane
CID 142183368
(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole
CID 155027298
(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
CID 171072973
1-ethyl-3-(2-methylpropyl)-1-phenylthiourea
CID 115570335

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine?
The IUPAC name of (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine (CID 143370230) is (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine.
What is the SMILES notation for (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine?
The canonical SMILES for (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine is C=C/C=c1\c(=C)c2ccccc2n1C(C)/N=C(\N=C(/C)n1c2ccccc2c2ccccc21)N(CC)c1ccccc1.
What is the InChIKey of (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine?
The InChIKey is BFYPUODYEKQKCP-HSGGAWICSA-N. The full InChI is InChI=1S/C37H35N5/c1-6-17-33-26(3)30-20-11-14-23-34(30)41(33)27(4)38-37(40(7-2)29-18-9-8-10-19-29)39-28(5)42-35-24-15-12-21-31(35)32-22-13-16-25-36(32)42/h6,8-25,27H,1,3,7H2,2,4-5H3/b33-17+,38-37+,39-28+.
What are the key properties of (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine?
(3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine has a molecular weight of 549.72 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-carbazol-9-ylethylidene)-1-ethyl-2-[1-[(2E)-3-methylidene-2-prop-2-enylideneindol-1-yl]ethyl]-1-phenylguanidine is sourced from PubChem (CID 143370230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).