9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole

C43H31N3 — CID 89152469

IUPAC9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
SMILESC=C1/C=C\C(n2c3ccccc3c3ccccc32)=C/Cc2cc(-n3c4ccccc4c4ccccc43)ccc2N1c1ccccc1
InChIInChI=1S/C43H31N3/c1-30-23-25-33(45-40-19-9-5-15-35(40)36-16-6-10-20-41(36)45)26-24-31-29-34(27-28-39(31)44(30)32-13-3-2-4-14-32)46-42-21-11-7-17-37(42)38-18-8-12-22-43(38)46/h2-23,25-29H,1,24H2/b25-23-,33-26+
InChIKeyQZZGLWXKGUECKI-YWVRSBTNSA-N
MW589.74 g/mol
LogP11.20
Rot. Bonds3

About 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole

9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole (PubChem CID 89152469) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole.

Molecular Properties

Compound Name9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
PubChem CID89152469
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
SMILESC=C1/C=C\C(n2c3ccccc3c3ccccc32)=C/Cc2cc(-n3c4ccccc4c4ccccc43)ccc2N1c1ccccc1
InChIInChI=1S/C43H31N3/c1-30-23-25-33(45-40-19-9-5-15-35(40)36-16-6-10-20-41(36)45)26-24-31-29-34(27-28-39(31)44(30)32-13-3-2-4-14-32)46-42-21-11-7-17-37(42)38-18-8-12-22-43(38)46/h2-23,25-29H,1,24H2/b25-23-,33-26+
InChIKeyQZZGLWXKGUECKI-YWVRSBTNSA-N
XLogP11.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170132462
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
7-(4-benzylphenyl)-10-[(1Z,12E)-11-methylidene-10-phenyl-14-oxa-10-azatetracyclo[11.7.0.04,9.015,20]icosa-1,4(9),5,7,12,15,17,19-octaen-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141016
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-[9-[(3Z,5E)-2-methylidene-8,9-dihydro-7H-1-benzoxonin-5-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 166701019
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778

Frequently Asked Questions

What is the IUPAC name of 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole?
The IUPAC name of 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole (CID 89152469) is 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole.
What is the SMILES notation for 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole?
The canonical SMILES for 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole is C=C1/C=C\C(n2c3ccccc3c3ccccc32)=C/Cc2cc(-n3c4ccccc4c4ccccc43)ccc2N1c1ccccc1.
What is the InChIKey of 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole?
The InChIKey is QZZGLWXKGUECKI-YWVRSBTNSA-N. The full InChI is InChI=1S/C43H31N3/c1-30-23-25-33(45-40-19-9-5-15-35(40)36-16-6-10-20-41(36)45)26-24-31-29-34(27-28-39(31)44(30)32-13-3-2-4-14-32)46-42-21-11-7-17-37(42)38-18-8-12-22-43(38)46/h2-23,25-29H,1,24H2/b25-23-,33-26+.
What are the key properties of 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole?
9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole has a molecular weight of 589.74 g/mol, XLogP of 11.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole is sourced from PubChem (CID 89152469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).