N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene

C42H37N5 — CID 145299539

IUPACN'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)C(/C)=C/C(=C\N)n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C35H29N5.C7H8/c1-23(34(37)39-35(38)27-17-15-25(16-18-27)24-9-3-2-4-10-24)21-28(22-36)40-31-14-8-7-13-30(31)33-29-12-6-5-11-26(29)19-20-32(33)40;1-7-5-3-2-4-6-7/h2-22H,36H2,1H3,(H3,37,38,39);2-6H,1H3/b23-21+,28-22+;
InChIKeySSVUXKKEUQZKKM-IZYZZDBMSA-N
MW611.79 g/mol
LogP9.70
Rot. Bonds5

About N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene

N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene (PubChem CID 145299539) has the molecular formula C42H37N5 and a molecular weight of 611.79 g/mol. Its IUPAC name is N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene.

Molecular Properties

Compound NameN'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
PubChem CID145299539
Molecular FormulaC42H37N5
Molecular Weight611.79 g/mol
Exact Mass611.30
IUPAC NameN'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)C(/C)=C/C(=C\N)n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C35H29N5.C7H8/c1-23(34(37)39-35(38)27-17-15-25(16-18-27)24-9-3-2-4-10-24)21-28(22-36)40-31-14-8-7-13-30(31)33-29-12-6-5-11-26(29)19-20-32(33)40;1-7-5-3-2-4-6-7/h2-22H,36H2,1H3,(H3,37,38,39);2-6H,1H3/b23-21+,28-22+;
InChIKeySSVUXKKEUQZKKM-IZYZZDBMSA-N
XLogP9.70
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 59.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145299401
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
N'-(benzenecarboximidoyl)-6-benzo[c]carbazol-7-ylpyridine-2-carboximidamide
CID 145299410
N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130181076
N-[amino(phenyl)methylidene]-1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)naphthalene-2-carboximidamide
CID 166656564
(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
CID 142324064
(2E,4Z)-1-imino-1-phenylhexa-2,4-diene-2,3-diamine;25-methyl-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289590
N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
CID 139309354
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157
N-[amino(phenyl)methylidene]-10-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenanthrene-9-carboximidamide;toluene
CID 145303561
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene?
The IUPAC name of N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene (CID 145299539) is N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene.
What is the SMILES notation for N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene?
The canonical SMILES for N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene is Cc1ccccc1.[H]/N=C(\N=C(/N)c1ccc(-c2ccccc2)cc1)C(/C)=C/C(=C\N)n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene?
The InChIKey is SSVUXKKEUQZKKM-IZYZZDBMSA-N. The full InChI is InChI=1S/C35H29N5.C7H8/c1-23(34(37)39-35(38)27-17-15-25(16-18-27)24-9-3-2-4-10-24)21-28(22-36)40-31-14-8-7-13-30(31)33-29-12-6-5-11-26(29)19-20-32(33)40;1-7-5-3-2-4-6-7/h2-22H,36H2,1H3,(H3,37,38,39);2-6H,1H3/b23-21+,28-22+;.
What are the key properties of N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene?
N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene has a molecular weight of 611.79 g/mol, XLogP of 9.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-5-amino-4-benzo[c]carbazol-7-yl-2-methylpenta-2,4-dienimidoyl]-4-phenylbenzenecarboximidamide;toluene is sourced from PubChem (CID 145299539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).