9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole

C37H26N2 — CID 145345322

IUPAC9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(Cc2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H26N2/c1-7-19-32(38-34-21-9-3-15-28(34)29-16-4-10-22-35(29)38)26(13-1)25-27-14-2-8-20-33(27)39-36-23-11-5-17-30(36)31-18-6-12-24-37(31)39/h1-24H,25H2
InChIKeyYHKBEJACSFKJQH-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.47
Rot. Bonds4

About 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole

9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole (PubChem CID 145345322) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
PubChem CID145345322
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(Cc2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H26N2/c1-7-19-32(38-34-21-9-3-15-28(34)29-16-4-10-22-35(29)38)26(13-1)25-27-14-2-8-20-33(27)39-36-23-11-5-17-30(36)31-18-6-12-24-37(31)39/h1-24H,25H2
InChIKeyYHKBEJACSFKJQH-UHFFFAOYSA-N
XLogP9.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole?
The IUPAC name of 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole (CID 145345322) is 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(Cc2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole?
The InChIKey is YHKBEJACSFKJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-7-19-32(38-34-21-9-3-15-28(34)29-16-4-10-22-35(29)38)26(13-1)25-27-14-2-8-20-33(27)39-36-23-11-5-17-30(36)31-18-6-12-24-37(31)39/h1-24H,25H2.
What are the key properties of 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole?
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole has a molecular weight of 498.63 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole is sourced from PubChem (CID 145345322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).