N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide

C43H33N5 — CID 156706517

IUPACN-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)N(C)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccc(=C)/c(=C\C=C)c4)c3c21)c1ccccc1
InChIInChI=1S/C43H33N5/c1-4-15-32-28-33(25-24-29(32)2)47-38-22-13-11-20-34(38)36-26-27-37-35-21-12-14-23-39(35)48(41(37)40(36)47)46(3)43(31-18-9-6-10-19-31)45-42(44)30-16-7-5-8-17-30/h4-28,44H,1-2H2,3H3/b32-15-,44-42+,45-43+
InChIKeyHMBMEVIWENKBJG-REKLJCJBSA-N
MW619.77 g/mol
LogP8.31
Rot. Bonds5

About N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide

N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide (PubChem CID 156706517) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide
PubChem CID156706517
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC NameN-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)N(C)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccc(=C)/c(=C\C=C)c4)c3c21)c1ccccc1
InChIInChI=1S/C43H33N5/c1-4-15-32-28-33(25-24-29(32)2)47-38-22-13-11-20-34(38)36-26-27-37-35-21-12-14-23-39(35)48(41(37)40(36)47)46(3)43(31-18-9-6-10-19-31)45-42(44)30-16-7-5-8-17-30/h4-28,44H,1-2H2,3H3/b32-15-,44-42+,45-43+
InChIKeyHMBMEVIWENKBJG-REKLJCJBSA-N
XLogP8.31
TPSA49.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide 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

4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
CID 155708100
N-[[[2-(2-aminophenyl)-9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-methylamino]-phenylmethylidene]benzenecarboximidamide
CID 170137245
N-[amino(phenyl)methylidene]-3-(14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaen-17-yl)benzenecarboximidamide
CID 144914923
N-[amino(phenyl)methylidene]-9,9-dimethyl-7-(7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaen-20-yl)fluorene-2-carboximidamide
CID 144645258
N-[methylamino(phenyl)methylidene]-11-phenylindolo[2,3-a]carbazole-12-carboximidamide
CID 174035465
N-[[(2-methyl-11-phenyl-1,2-dihydroindolo[2,3-a]carbazol-12-yl)amino]-phenylmethylidene]benzenecarboximidamide
CID 138698690
N-[(methylideneamino)-phenylmethylidene]-3-[8-(N-phenylanilino)-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6(11),7,9,15,17,19,21,23,25,27-tridecaen-12-yl]benzenecarboximidamide;toluene
CID 144906839
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
(NE)-N'-(benzenecarboximidoyl)-11-phenyl-N-[[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]methylidene]indolo[2,3-a]carbazole-12-carboximidamide
CID 156643450
N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
CID 144925903
N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170785636

Frequently Asked Questions

What is the IUPAC name of N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide (CID 156706517) is N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(\c1ccccc1)N(C)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccc(=C)/c(=C\C=C)c4)c3c21)c1ccccc1.
What is the InChIKey of N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide?
The InChIKey is HMBMEVIWENKBJG-REKLJCJBSA-N. The full InChI is InChI=1S/C43H33N5/c1-4-15-32-28-33(25-24-29(32)2)47-38-22-13-11-20-34(38)36-26-27-37-35-21-12-14-23-39(35)48(41(37)40(36)47)46(3)43(31-18-9-6-10-19-31)45-42(44)30-16-7-5-8-17-30/h4-28,44H,1-2H2,3H3/b32-15-,44-42+,45-43+.
What are the key properties of N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide?
N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide has a molecular weight of 619.77 g/mol, XLogP of 8.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 156706517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).