6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole

C49H32N2 — CID 118330173

IUPAC6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
SMILESCc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C49H32N2/c1-31-19-25-47-44(27-31)42-23-20-33(32-21-26-48-45(28-32)41-17-9-10-18-46(41)50(48)34-11-3-2-4-12-34)29-49(42)51(47)35-22-24-40-38-15-6-5-13-36(38)37-14-7-8-16-39(37)43(40)30-35/h2-30H,1H3
InChIKeyWTKHCQDPBJZUOR-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.32
Rot. Bonds3

About 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole

6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 118330173) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
PubChem CID118330173
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
SMILESCc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C49H32N2/c1-31-19-25-47-44(27-31)42-23-20-33(32-21-26-48-45(28-32)41-17-9-10-18-46(41)50(48)34-11-3-2-4-12-34)29-49(42)51(47)35-22-24-40-38-15-6-5-13-36(38)37-14-7-8-16-39(37)43(40)30-35/h2-30H,1H3
InChIKeyWTKHCQDPBJZUOR-UHFFFAOYSA-N
XLogP13.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?
The IUPAC name of 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole (CID 118330173) is 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole is Cc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?
The InChIKey is WTKHCQDPBJZUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-31-19-25-47-44(27-31)42-23-20-33(32-21-26-48-45(28-32)41-17-9-10-18-46(41)50(48)34-11-3-2-4-12-34)29-49(42)51(47)35-22-24-40-38-15-6-5-13-36(38)37-14-7-8-16-39(37)43(40)30-35/h2-30H,1H3.
What are the key properties of 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole?
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole has a molecular weight of 648.81 g/mol, XLogP of 13.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 118330173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).