6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile

C54H34N4O — CID 121297483

IUPAC6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6ccccn6)n5)ccc3O4)ccc1n2-c1ccccc1
InChIInChI=1S/C54H34N4O/c55-35-36-22-26-50-43(31-36)44-32-37(23-27-51(44)58(50)42-17-8-3-9-18-42)38-24-28-52-45(33-38)54(40-13-4-1-5-14-40,41-15-6-2-7-16-41)46-34-39(25-29-53(46)59-52)47-20-12-21-49(57-47)48-19-10-11-30-56-48/h1-34H
InChIKeyVOWWWMYQXVUHNH-UHFFFAOYSA-N
MW754.89 g/mol
LogP12.93
Rot. Bonds6

About 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile

6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 121297483) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile
PubChem CID121297483
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6ccccn6)n5)ccc3O4)ccc1n2-c1ccccc1
InChIInChI=1S/C54H34N4O/c55-35-36-22-26-50-43(31-36)44-32-37(23-27-51(44)58(50)42-17-8-3-9-18-42)38-24-28-52-45(33-38)54(40-13-4-1-5-14-40,41-15-6-2-7-16-41)46-34-39(25-29-53(46)59-52)47-20-12-21-49(57-47)48-19-10-11-30-56-48/h1-34H
InChIKeyVOWWWMYQXVUHNH-UHFFFAOYSA-N
XLogP12.93
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile (CID 121297483) is 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6ccccn6)n5)ccc3O4)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is VOWWWMYQXVUHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c55-35-36-22-26-50-43(31-36)44-32-37(23-27-51(44)58(50)42-17-8-3-9-18-42)38-24-28-52-45(33-38)54(40-13-4-1-5-14-40,41-15-6-2-7-16-41)46-34-39(25-29-53(46)59-52)47-20-12-21-49(57-47)48-19-10-11-30-56-48/h1-34H.
What are the key properties of 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile?
6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 754.89 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,9-diphenyl-7-(6-pyridin-2-yl-2-pyridinyl)xanthen-2-yl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 121297483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).