4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole

C44H34N2O — CID 134187055

IUPAC4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole
SMILESC/C=C(\C=C/C=C/c1cccc(-c2ccccc2OC)c1)n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C44H34N2O/c1-3-33(19-5-4-16-31-17-14-18-32(30-31)34-20-9-13-29-43(34)47-2)45-40-26-12-8-23-37(40)44-41(45)27-15-28-42(44)46-38-24-10-6-21-35(38)36-22-7-11-25-39(36)46/h3-30H,1-2H3/b16-4+,19-5-,33-3+
InChIKeyXSXAJSPLNPPSDX-YSPGFLJISA-N
MW606.77 g/mol
LogP11.70
Rot. Bonds7

About 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole

4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole (PubChem CID 134187055) has the molecular formula C44H34N2O and a molecular weight of 606.77 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole
PubChem CID134187055
Molecular FormulaC44H34N2O
Molecular Weight606.77 g/mol
Exact Mass606.27
IUPAC Name4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole
SMILESC/C=C(\C=C/C=C/c1cccc(-c2ccccc2OC)c1)n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C44H34N2O/c1-3-33(19-5-4-16-31-17-14-18-32(30-31)34-20-9-13-29-43(34)47-2)45-40-26-12-8-23-37(40)44-41(45)27-15-28-42(44)46-38-24-10-6-21-35(38)36-22-7-11-25-39(36)46/h3-30H,1-2H3/b16-4+,19-5-,33-3+
InChIKeyXSXAJSPLNPPSDX-YSPGFLJISA-N
XLogP11.70
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-carbazol-9-yl-6-methoxyphenyl)-methyl-phosphanylphosphane
CID 129309761
(2-carbazol-9-yl-6-methoxyphenyl)-methylphosphane
CID 129309635
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
ethane;9-(5-fluoro-2-methoxyphenyl)carbazole
CID 144565346
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
9-(2,6-dimethoxyphenyl)carbazole
CID 58050238
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole (CID 134187055) is 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole is C/C=C(\C=C/C=C/c1cccc(-c2ccccc2OC)c1)n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole?
The InChIKey is XSXAJSPLNPPSDX-YSPGFLJISA-N. The full InChI is InChI=1S/C44H34N2O/c1-3-33(19-5-4-16-31-17-14-18-32(30-31)34-20-9-13-29-43(34)47-2)45-40-26-12-8-23-37(40)44-41(45)27-15-28-42(44)46-38-24-10-6-21-35(38)36-22-7-11-25-39(36)46/h3-30H,1-2H3/b16-4+,19-5-,33-3+.
What are the key properties of 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole?
4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole has a molecular weight of 606.77 g/mol, XLogP of 11.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-[(2E,4Z,6E)-7-[3-(2-methoxyphenyl)phenyl]hepta-2,4,6-trien-3-yl]carbazole is sourced from PubChem (CID 134187055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).