3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole

C48H36N2 — CID 129225827

IUPAC3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
SMILESC/C=C\C(=C/C)n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21
InChIInChI=1S/C48H36N2/c1-3-15-39(4-2)49-45-22-13-11-20-41(45)43-31-34(24-26-47(43)49)37-28-36(33-16-7-5-8-17-33)29-38(30-37)35-25-27-48-44(32-35)42-21-12-14-23-46(42)50(48)40-18-9-6-10-19-40/h3-32H,1-2H3/b15-3-,39-4+
InChIKeyOSOTVKPFFQYCPS-DAKQDJPQSA-N
MW640.83 g/mol
LogP13.33
Rot. Bonds6

About 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole

3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole (PubChem CID 129225827) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
PubChem CID129225827
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
SMILESC/C=C\C(=C/C)n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21
InChIInChI=1S/C48H36N2/c1-3-15-39(4-2)49-45-22-13-11-20-41(45)43-31-34(24-26-47(43)49)37-28-36(33-16-7-5-8-17-33)29-38(30-37)35-25-27-48-44(32-35)42-21-12-14-23-46(42)50(48)40-18-9-6-10-19-40/h3-32H,1-2H3/b15-3-,39-4+
InChIKeyOSOTVKPFFQYCPS-DAKQDJPQSA-N
XLogP13.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.33
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-ethyl-6-[4-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 145212547
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
buta-1,3-diene;3-ethyl-6-[4-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 145212546
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole (CID 129225827) is 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole is C/C=C\C(=C/C)n1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21.
What is the InChIKey of 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole?
The InChIKey is OSOTVKPFFQYCPS-DAKQDJPQSA-N. The full InChI is InChI=1S/C48H36N2/c1-3-15-39(4-2)49-45-22-13-11-20-41(45)43-31-34(24-26-47(43)49)37-28-36(33-16-7-5-8-17-33)29-38(30-37)35-25-27-48-44(32-35)42-21-12-14-23-46(42)50(48)40-18-9-6-10-19-40/h3-32H,1-2H3/b15-3-,39-4+.
What are the key properties of 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole?
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole has a molecular weight of 640.83 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 129225827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).