9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole

C40H30N2 — CID 140924005

IUPAC9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
SMILESC/C(=C(/C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C40H30N2/c1-27(29-19-23-31(24-20-29)41-37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)28(2)30-21-25-32(26-22-30)42-39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,1-2H3/b28-27+
InChIKeyLVFORANGVSXMRY-BYYHNAKLSA-N
MW538.69 g/mol
LogP10.83
Rot. Bonds4

About 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole

9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole (PubChem CID 140924005) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
PubChem CID140924005
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
SMILESC/C(=C(/C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C40H30N2/c1-27(29-19-23-31(24-20-29)41-37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)28(2)30-21-25-32(26-22-30)42-39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,1-2H3/b28-27+
InChIKeyLVFORANGVSXMRY-BYYHNAKLSA-N
XLogP10.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
CID 50936669
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
CID 66688569
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole (CID 140924005) is 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole is C/C(=C(/C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole?
The InChIKey is LVFORANGVSXMRY-BYYHNAKLSA-N. The full InChI is InChI=1S/C40H30N2/c1-27(29-19-23-31(24-20-29)41-37-15-7-3-11-33(37)34-12-4-8-16-38(34)41)28(2)30-21-25-32(26-22-30)42-39-17-9-5-13-35(39)36-14-6-10-18-40(36)42/h3-26H,1-2H3/b28-27+.
What are the key properties of 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole?
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole has a molecular weight of 538.69 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole is sourced from PubChem (CID 140924005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).