5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole

C37H30N2 — CID 129084472

IUPAC5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole
SMILESC1=CCc2c(n(-c3ccc(-c4ccc(N5C/C=C\C=C/Cc6ccccc65)cc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C37H30N2/c1-2-11-27-38(35-16-9-7-13-30(35)12-4-1)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-6-3-5-14-33(36)34-15-8-10-18-37(34)39/h1-11,13,15-26H,12,14,27H2/b4-1-,11-2-
InChIKeyMFUGMLAGRSJXHO-ARSNDWAXSA-N
MW502.66 g/mol
LogP9.23
Rot. Bonds3

About 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole

5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole (PubChem CID 129084472) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole
PubChem CID129084472
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole
SMILESC1=CCc2c(n(-c3ccc(-c4ccc(N5C/C=C\C=C/Cc6ccccc65)cc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C37H30N2/c1-2-11-27-38(35-16-9-7-13-30(35)12-4-1)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-6-3-5-14-33(36)34-15-8-10-18-37(34)39/h1-11,13,15-26H,12,14,27H2/b4-1-,11-2-
InChIKeyMFUGMLAGRSJXHO-ARSNDWAXSA-N
XLogP9.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole with MolForge

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Related Compounds

5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline
CID 143650211
(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine
CID 143579710
N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
CID 145313886
9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
8-[4-[2-[5-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]cyclohepta-1,4,6-trien-1-yl]propan-2-yl]phenyl]-3,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10,12-hexaene
CID 138740015
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole?
The IUPAC name of 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole (CID 129084472) is 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole.
What is the SMILES notation for 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole?
The canonical SMILES for 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole is C1=CCc2c(n(-c3ccc(-c4ccc(N5C/C=C\C=C/Cc6ccccc65)cc4)cc3)c3ccccc23)C=C1.
What is the InChIKey of 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole?
The InChIKey is MFUGMLAGRSJXHO-ARSNDWAXSA-N. The full InChI is InChI=1S/C37H30N2/c1-2-11-27-38(35-16-9-7-13-30(35)12-4-1)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-6-3-5-14-33(36)34-15-8-10-18-37(34)39/h1-11,13,15-26H,12,14,27H2/b4-1-,11-2-.
What are the key properties of 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole?
5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole has a molecular weight of 502.66 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole is sourced from PubChem (CID 129084472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).