9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole

C38H28N2 — CID 22020378

IUPAC9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3
InChIKeyLTUJKAYZIMMJEP-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.16
Rot. Bonds3

About 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole

9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole (PubChem CID 22020378) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole
PubChem CID22020378
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3
InChIKeyLTUJKAYZIMMJEP-UHFFFAOYSA-N
XLogP10.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole (CID 22020378) is 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole?
The InChIKey is LTUJKAYZIMMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3.
What are the key properties of 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole?
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole has a molecular weight of 512.66 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole is sourced from PubChem (CID 22020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).