2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole

C41H38N2 — CID 145189979

IUPAC2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole
SMILESCc1ccc(N2C/C=C\C=C/C(C)c3ccc(-c4ccc5c6ccccc6n(-c6ccc(C(C)C)cc6)c5c4)cc32)cc1
InChIInChI=1S/C41H38N2/c1-28(2)31-15-21-35(22-16-31)43-39-12-8-7-11-37(39)38-24-18-33(27-41(38)43)32-17-23-36-30(4)10-6-5-9-25-42(40(36)26-32)34-19-13-29(3)14-20-34/h5-24,26-28,30H,25H2,1-4H3/b9-5-,10-6-
InChIKeyGEMXSOORMIRWFQ-OZDSWYPASA-N
MW558.77 g/mol
LogP11.25
Rot. Bonds4

About 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole

2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole (PubChem CID 145189979) has the molecular formula C41H38N2 and a molecular weight of 558.77 g/mol. Its IUPAC name is 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole
PubChem CID145189979
Molecular FormulaC41H38N2
Molecular Weight558.77 g/mol
Exact Mass558.30
IUPAC Name2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole
SMILESCc1ccc(N2C/C=C\C=C/C(C)c3ccc(-c4ccc5c6ccccc6n(-c6ccc(C(C)C)cc6)c5c4)cc32)cc1
InChIInChI=1S/C41H38N2/c1-28(2)31-15-21-35(22-16-31)43-39-12-8-7-11-37(39)38-24-18-33(27-41(38)43)32-17-23-36-30(4)10-6-5-9-25-42(40(36)26-32)34-19-13-29(3)14-20-34/h5-24,26-28,30H,25H2,1-4H3/b9-5-,10-6-
InChIKeyGEMXSOORMIRWFQ-OZDSWYPASA-N
XLogP11.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-[1-[(3Z,5Z,7S)-7-methyl-2,7-dihydropyrido[4,3-b]azonin-1-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 163646384
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
CID 143920796
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole?
The IUPAC name of 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole (CID 145189979) is 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole.
What is the SMILES notation for 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole?
The canonical SMILES for 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole is Cc1ccc(N2C/C=C\C=C/C(C)c3ccc(-c4ccc5c6ccccc6n(-c6ccc(C(C)C)cc6)c5c4)cc32)cc1.
What is the InChIKey of 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole?
The InChIKey is GEMXSOORMIRWFQ-OZDSWYPASA-N. The full InChI is InChI=1S/C41H38N2/c1-28(2)31-15-21-35(22-16-31)43-39-12-8-7-11-37(39)38-24-18-33(27-41(38)43)32-17-23-36-30(4)10-6-5-9-25-42(40(36)26-32)34-19-13-29(3)14-20-34/h5-24,26-28,30H,25H2,1-4H3/b9-5-,10-6-.
What are the key properties of 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole?
2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole has a molecular weight of 558.77 g/mol, XLogP of 11.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole is sourced from PubChem (CID 145189979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).