3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole

C40H28N2 — CID 163731823

IUPAC3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
SMILESC(=Cc1ccc2[nH]c3ccccc3c2c1)c1ccc(-c2ccc(/C=C\c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-3-7-37-33(5-1)35-25-29(17-23-39(35)41-37)11-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)10-12-30-18-24-40-36(26-30)34-6-2-4-8-38(34)42-40/h1-26,41-42H/b11-9-,12-10?
InChIKeyLAFIMKQGYQZSCK-ONNZKKIYSA-N
MW536.68 g/mol
LogP10.96
Rot. Bonds5

About 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole

3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole (PubChem CID 163731823) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole.

Molecular Properties

Compound Name3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
PubChem CID163731823
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
SMILESC(=Cc1ccc2[nH]c3ccccc3c2c1)c1ccc(-c2ccc(/C=C\c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-3-7-37-33(5-1)35-25-29(17-23-39(35)41-37)11-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)10-12-30-18-24-40-36(26-30)34-6-2-4-8-38(34)42-40/h1-26,41-42H/b11-9-,12-10?
InChIKeyLAFIMKQGYQZSCK-ONNZKKIYSA-N
XLogP10.96
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-3-ylmethylidenehydrazine
CID 70404391
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 87061574
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tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
CID 11551058
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
3,6-bis[2-(1-methylpyridin-1-ium-2-yl)ethenyl]-9H-carbazole
CID 68576558
CID 119077143
CID 119077143
3-[(E)-2-[6-[(E)-2-(9H-carbazol-3-yl)ethenyl]-4-(dinitromethylidene)pyran-2-yl]ethenyl]-9H-carbazole
CID 101244726
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
1-(4-prop-1-enylphenyl)-9H-carbazole
CID 175584569

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole?
The IUPAC name of 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole (CID 163731823) is 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole.
What is the SMILES notation for 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole?
The canonical SMILES for 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole is C(=Cc1ccc2[nH]c3ccccc3c2c1)c1ccc(-c2ccc(/C=C\c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole?
The InChIKey is LAFIMKQGYQZSCK-ONNZKKIYSA-N. The full InChI is InChI=1S/C40H28N2/c1-3-7-37-33(5-1)35-25-29(17-23-39(35)41-37)11-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)10-12-30-18-24-40-36(26-30)34-6-2-4-8-38(34)42-40/h1-26,41-42H/b11-9-,12-10?.
What are the key properties of 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole?
3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole has a molecular weight of 536.68 g/mol, XLogP of 10.96, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole is sourced from PubChem (CID 163731823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).