2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole

C125H95N5 — CID 160608277

IUPAC2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/5C25H19N/c1-18-8-7-9-19(16-18)20-14-15-25-23(17-20)22-12-5-6-13-24(22)26(25)21-10-3-2-4-11-21;1-18-8-7-9-19(16-18)20-14-15-23-22-12-5-6-13-24(22)26(25(23)17-20)21-10-3-2-4-11-21;1-18-9-5-6-12-21(18)19-15-16-25-23(17-19)22-13-7-8-14-24(22)26(25)20-10-3-2-4-11-20;1-18-9-5-6-12-21(18)19-15-16-23-22-13-7-8-14-24(22)26(25(23)17-19)20-10-3-2-4-11-20;1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h5*2-17H,1H3
InChIKeyRFDZTQWHLVALRG-UHFFFAOYSA-N
MW1667.17 g/mol
LogP33.80
Rot. Bonds10

About 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole

2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole (PubChem CID 160608277) has the molecular formula C125H95N5 and a molecular weight of 1667.17 g/mol. Its IUPAC name is 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
PubChem CID160608277
Molecular FormulaC125H95N5
Molecular Weight1667.17 g/mol
Exact Mass1665.76
IUPAC Name2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/5C25H19N/c1-18-8-7-9-19(16-18)20-14-15-25-23(17-20)22-12-5-6-13-24(22)26(25)21-10-3-2-4-11-21;1-18-8-7-9-19(16-18)20-14-15-23-22-12-5-6-13-24(22)26(25(23)17-20)21-10-3-2-4-11-21;1-18-9-5-6-12-21(18)19-15-16-25-23(17-19)22-13-7-8-14-24(22)26(25)20-10-3-2-4-11-20;1-18-9-5-6-12-21(18)19-15-16-23-22-13-7-8-14-24(22)26(25(23)17-19)20-10-3-2-4-11-20;1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h5*2-17H,1H3
InChIKeyRFDZTQWHLVALRG-UHFFFAOYSA-N
XLogP33.80
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms130
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001667.17
LogP ≤ 533.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole?
The IUPAC name of 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole (CID 160608277) is 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole?
The canonical SMILES for 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole?
The InChIKey is RFDZTQWHLVALRG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C25H19N/c1-18-8-7-9-19(16-18)20-14-15-25-23(17-20)22-12-5-6-13-24(22)26(25)21-10-3-2-4-11-21;1-18-8-7-9-19(16-18)20-14-15-23-22-12-5-6-13-24(22)26(25(23)17-20)21-10-3-2-4-11-21;1-18-9-5-6-12-21(18)19-15-16-25-23(17-19)22-13-7-8-14-24(22)26(25)20-10-3-2-4-11-20;1-18-9-5-6-12-21(18)19-15-16-23-22-13-7-8-14-24(22)26(25(23)17-19)20-10-3-2-4-11-20;1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h5*2-17H,1H3.
What are the key properties of 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole?
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole has a molecular weight of 1667.17 g/mol, XLogP of 33.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 160608277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).