3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole

C43H32N2 — CID 142321916

IUPAC3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H32N2/c1-3-14-33(15-4-2)44-40-22-12-9-19-35(40)37-28-31(24-26-42(37)44)32-25-27-43-38(29-32)36-20-10-13-23-41(36)45(43)39-21-11-8-18-34(39)30-16-6-5-7-17-30/h3-29H,1H2,2H3/b15-4-,33-14+
InChIKeyVBDNNVXXYIZUPP-HOKZJVEDSA-N
MW576.74 g/mol
LogP11.83
Rot. Bonds6

About 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole

3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 142321916) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
PubChem CID142321916
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H32N2/c1-3-14-33(15-4-2)44-40-22-12-9-19-35(40)37-28-31(24-26-42(37)44)32-25-27-43-38(29-32)36-20-10-13-23-41(36)45(43)39-21-11-8-18-34(39)30-16-6-5-7-17-30/h3-29H,1H2,2H3/b15-4-,33-14+
InChIKeyVBDNNVXXYIZUPP-HOKZJVEDSA-N
XLogP11.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 143933879
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
CID 174098939
CID 174098939

Frequently Asked Questions

What is the IUPAC name of 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole (CID 142321916) is 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is VBDNNVXXYIZUPP-HOKZJVEDSA-N. The full InChI is InChI=1S/C43H32N2/c1-3-14-33(15-4-2)44-40-22-12-9-19-35(40)37-28-31(24-26-42(37)44)32-25-27-43-38(29-32)36-20-10-13-23-41(36)45(43)39-21-11-8-18-34(39)30-16-6-5-7-17-30/h3-29H,1H2,2H3/b15-4-,33-14+.
What are the key properties of 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 576.74 g/mol, XLogP of 11.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 142321916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).