9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole

C36H29N — CID 89277250

IUPAC9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
SMILESCc1ccc(/C=C/c2ccc3c4ccc(/C=C/c5ccccc5)cc4n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C36H29N/c1-27-12-14-29(15-13-27)17-19-31-21-23-34-33-22-20-30(18-16-28-8-4-2-5-9-28)24-35(33)37(36(34)25-31)26-32-10-6-3-7-11-32/h2-25H,26H2,1H3/b18-16+,19-17+
InChIKeyMILBYVVRFIQISP-YWNVXTCZSA-N
MW475.64 g/mol
LogP9.49
Rot. Bonds6

About 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole

9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole (PubChem CID 89277250) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole.

Molecular Properties

Compound Name9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
PubChem CID89277250
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
SMILESCc1ccc(/C=C/c2ccc3c4ccc(/C=C/c5ccccc5)cc4n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C36H29N/c1-27-12-14-29(15-13-27)17-19-31-21-23-34-33-22-20-30(18-16-28-8-4-2-5-9-28)24-35(33)37(36(34)25-31)26-32-10-6-3-7-11-32/h2-25H,26H2,1H3/b18-16+,19-17+
InChIKeyMILBYVVRFIQISP-YWNVXTCZSA-N
XLogP9.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-benzyl-3-[(E)-prop-1-enyl]carbazole
CID 89489502
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
9-hexyl-2,7-bis[(E)-2-(4-phenylphenyl)ethenyl]carbazole
CID 58937437
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
CID 82269669
9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
CID 76563716
1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
CID 173240821
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
9-benzyl-2-bromocarbazole
CID 123133636
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
2-[(E)-2-[4-[3-[4-(2-carbazol-9-ylethenyl)phenyl]-5-[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]-9-ethylcarbazole
CID 118404920

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole?
The IUPAC name of 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole (CID 89277250) is 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole.
What is the SMILES notation for 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole?
The canonical SMILES for 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole is Cc1ccc(/C=C/c2ccc3c4ccc(/C=C/c5ccccc5)cc4n(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole?
The InChIKey is MILBYVVRFIQISP-YWNVXTCZSA-N. The full InChI is InChI=1S/C36H29N/c1-27-12-14-29(15-13-27)17-19-31-21-23-34-33-22-20-30(18-16-28-8-4-2-5-9-28)24-35(33)37(36(34)25-31)26-32-10-6-3-7-11-32/h2-25H,26H2,1H3/b18-16+,19-17+.
What are the key properties of 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole?
9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole has a molecular weight of 475.64 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole is sourced from PubChem (CID 89277250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).