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

C37H28N2 — CID 166865007

IUPAC9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C37H28N2/c1-27-13-3-2-4-14-28-15-5-8-22-35(28)38(27)31-18-11-16-29(25-31)30-17-12-19-32(26-30)39-36-23-9-6-20-33(36)34-21-7-10-24-37(34)39/h2-13,15-26H,1,14H2/b4-2-,13-3-
InChIKeyRJCKXSFUEKERSV-SRFIBKMLSA-N
MW500.65 g/mol
LogP9.77
Rot. Bonds3

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

9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (PubChem CID 166865007) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
PubChem CID166865007
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C37H28N2/c1-27-13-3-2-4-14-28-15-5-8-22-35(28)38(27)31-18-11-16-29(25-31)30-17-12-19-32(26-30)39-36-23-9-6-20-33(36)34-21-7-10-24-37(34)39/h2-13,15-26H,1,14H2/b4-2-,13-3-
InChIKeyRJCKXSFUEKERSV-SRFIBKMLSA-N
XLogP9.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine
CID 155420462
(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonine;19-methyl-15-thia-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
CID 145326964
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
CID 89152469
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
9-[3-[4-[3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 122666790
9-[3-[3-(3-carbazol-9-ylphenyl)-5-methylphenyl]phenyl]carbazole
CID 59841971
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (CID 166865007) is 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is C=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The InChIKey is RJCKXSFUEKERSV-SRFIBKMLSA-N. The full InChI is InChI=1S/C37H28N2/c1-27-13-3-2-4-14-28-15-5-8-22-35(28)38(27)31-18-11-16-29(25-31)30-17-12-19-32(26-30)39-36-23-9-6-20-33(36)34-21-7-10-24-37(34)39/h2-13,15-26H,1,14H2/b4-2-,13-3-.
What are the key properties of 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole has a molecular weight of 500.65 g/mol, XLogP of 9.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 166865007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).