10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

C30H23N3 — CID 134188138

IUPAC10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESC=C(/C=C\C=C/C)n1c2ccccc2c2nc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C30H23N3/c1-3-4-6-13-21(2)32-25-18-11-9-16-23(25)29-27(32)20-28-30(31-29)24-17-10-12-19-26(24)33(28)22-14-7-5-8-15-22/h3-20H,2H2,1H3/b4-3-,13-6-
InChIKeyAAAWKZJRIGGPOL-GBISSKHRSA-N
MW425.54 g/mol
LogP7.89
Rot. Bonds4

About 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 134188138) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
PubChem CID134188138
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESC=C(/C=C\C=C/C)n1c2ccccc2c2nc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C30H23N3/c1-3-4-6-13-21(2)32-25-18-11-9-16-23(25)29-27(32)20-28-30(31-29)24-17-10-12-19-26(24)33(28)22-14-7-5-8-15-22/h3-20H,2H2,1H3/b4-3-,13-6-
InChIKeyAAAWKZJRIGGPOL-GBISSKHRSA-N
XLogP7.89
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene with MolForge

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Related Compounds

2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166882509
5-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-12-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]carbazole
CID 129209239
9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
3-[(3E,5E,8Z,10Z)-6-methyl-7-methylidenedodeca-1,3,5,8,10-pentaen-4-yl]-9-phenylcarbazole
CID 144943286
9-[3-[4-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 167027233
6-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[4-[3-[4-[4-[11-[4-[4-[3-[2-[4-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinoline
CID 146480892
(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
CID 129022099
11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
CID 126538258
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7-phenylindeno[2,1-b]carbazole
CID 121462318
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene
CID 145396754

Frequently Asked Questions

What is the IUPAC name of 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The IUPAC name of 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 134188138) is 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is C=C(/C=C\C=C/C)n1c2ccccc2c2nc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The InChIKey is AAAWKZJRIGGPOL-GBISSKHRSA-N. The full InChI is InChI=1S/C30H23N3/c1-3-4-6-13-21(2)32-25-18-11-9-16-23(25)29-27(32)20-28-30(31-29)24-17-10-12-19-26(24)33(28)22-14-7-5-8-15-22/h3-20H,2H2,1H3/b4-3-,13-6-.
What are the key properties of 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 425.54 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-14-phenyl-2,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 134188138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).