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

C51H35N3 — CID 118137680

IUPAC3-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
SMILESC=C1/C=C\C=C/CN(c2cc3ccc4cc(-n5c6ccccc6c6ccccc65)cc5c4c3c(c2)n5-c2cccc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C51H35N3/c1-34-15-4-3-13-28-52(45-23-10-7-20-42(34)45)40-30-37-26-27-38-31-41(54-46-24-11-8-21-43(46)44-22-9-12-25-47(44)54)33-49-51(38)50(37)48(32-40)53(49)39-19-14-18-36(29-39)35-16-5-2-6-17-35/h2-27,29-33H,1,28H2/b13-3-,15-4-
InChIKeySTWHTSJRROZERS-UQINWATRSA-N
MW689.86 g/mol
LogP13.42
Rot. Bonds4

About 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

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 (PubChem CID 118137680) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID118137680
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name3-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
SMILESC=C1/C=C\C=C/CN(c2cc3ccc4cc(-n5c6ccccc6c6ccccc65)cc5c4c3c(c2)n5-c2cccc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C51H35N3/c1-34-15-4-3-13-28-52(45-23-10-7-20-42(34)45)40-30-37-26-27-38-31-41(54-46-24-11-8-21-43(46)44-22-9-12-25-47(44)54)33-49-51(38)50(37)48(32-40)53(49)39-19-14-18-36(29-39)35-16-5-2-6-17-35/h2-27,29-33H,1,28H2/b13-3-,15-4-
InChIKeySTWHTSJRROZERS-UQINWATRSA-N
XLogP13.42
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
3-[(3Z,5Z)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-methylidene-2H-1-benzazonin-10-yl]-9-naphthalen-2-ylcarbazole
CID 118220695
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170005906
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938
3-[(3Z,5Z)-1-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-naphthalen-1-ylcarbazole
CID 118349941
9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole
CID 121346503
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 121420350
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole
CID 170205880

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1/C=C\C=C/CN(c2cc3ccc4cc(-n5c6ccccc6c6ccccc65)cc5c4c3c(c2)n5-c2cccc(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is STWHTSJRROZERS-UQINWATRSA-N. The full InChI is InChI=1S/C51H35N3/c1-34-15-4-3-13-28-52(45-23-10-7-20-42(34)45)40-30-37-26-27-38-31-41(54-46-24-11-8-21-43(46)44-22-9-12-25-47(44)54)33-49-51(38)50(37)48(32-40)53(49)39-19-14-18-36(29-39)35-16-5-2-6-17-35/h2-27,29-33H,1,28H2/b13-3-,15-4-.
What are the key properties of 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?
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 has a molecular weight of 689.86 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118137680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).