9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole

C40H28N2 — CID 58771348

IUPAC9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2c1
InChIInChI=1S/C40H28N2/c1-27-11-23-35-36-24-12-28(2)26-40(36)42(39(35)25-27)32-21-17-30(18-22-32)14-13-29-15-19-31(20-16-29)41-37-9-5-3-7-33(37)34-8-4-6-10-38(34)41/h3-12,15-26H,1-2H3
InChIKeyIRTBDVMHAJHLQZ-UHFFFAOYSA-N
MW536.68 g/mol
LogP9.90
Rot. Bonds2

About 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole

9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole (PubChem CID 58771348) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
PubChem CID58771348
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2c1
InChIInChI=1S/C40H28N2/c1-27-11-23-35-36-24-12-28(2)26-40(36)42(39(35)25-27)32-21-17-30(18-22-32)14-13-29-15-19-31(20-16-29)41-37-9-5-3-7-33(37)34-8-4-6-10-38(34)41/h3-12,15-26H,1-2H3
InChIKeyIRTBDVMHAJHLQZ-UHFFFAOYSA-N
XLogP9.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-9-phenylcarbazole
CID 59552741
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
9-phenyl-3-(2-phenylethynyl)carbazole
CID 162470888
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
9-[4-[2-[3-[2-(4-carbazol-9-ylphenyl)ethynyl]azulen-1-yl]ethynyl]phenyl]carbazole
CID 101423276
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole (CID 58771348) is 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2c1.
What is the InChIKey of 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole?
The InChIKey is IRTBDVMHAJHLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-27-11-23-35-36-24-12-28(2)26-40(36)42(39(35)25-27)32-21-17-30(18-22-32)14-13-29-15-19-31(20-16-29)41-37-9-5-3-7-33(37)34-8-4-6-10-38(34)41/h3-12,15-26H,1-2H3.
What are the key properties of 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole?
9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole has a molecular weight of 536.68 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 58771348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).