9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole

C43H25N5O — CID 168721900

IUPAC9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole
SMILESc1cnc2cnc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)nc2c1
InChIInChI=1S/C43H25N5O/c1-5-17-34-26(11-1)27-12-2-6-18-35(27)47(34)38-21-9-15-30-40-31(43-45-25-33-32(46-43)16-10-24-44-33)22-23-39(42(40)49-41(30)38)48-36-19-7-3-13-28(36)29-14-4-8-20-37(29)48/h1-25H
InChIKeyLEIRZLNMDUGUHF-UHFFFAOYSA-N
MW627.71 g/mol
LogP10.79
Rot. Bonds3

About 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole

9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole (PubChem CID 168721900) has the molecular formula C43H25N5O and a molecular weight of 627.71 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole
PubChem CID168721900
Molecular FormulaC43H25N5O
Molecular Weight627.71 g/mol
Exact Mass627.21
IUPAC Name9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole
SMILESc1cnc2cnc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)nc2c1
InChIInChI=1S/C43H25N5O/c1-5-17-34-26(11-1)27-12-2-6-18-35(27)47(34)38-21-9-15-30-40-31(43-45-25-33-32(46-43)16-10-24-44-33)22-23-39(42(40)49-41(30)38)48-36-19-7-3-13-28(36)29-14-4-8-20-37(29)48/h1-25H
InChIKeyLEIRZLNMDUGUHF-UHFFFAOYSA-N
XLogP10.79
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.71
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole 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 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole (CID 168721900) is 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole is c1cnc2cnc(-c3ccc(-n4c5ccccc5c5ccccc54)c4oc5c(-n6c7ccccc7c7ccccc76)cccc5c34)nc2c1.
What is the InChIKey of 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole?
The InChIKey is LEIRZLNMDUGUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5O/c1-5-17-34-26(11-1)27-12-2-6-18-35(27)47(34)38-21-9-15-30-40-31(43-45-25-33-32(46-43)16-10-24-44-33)22-23-39(42(40)49-41(30)38)48-36-19-7-3-13-28(36)29-14-4-8-20-37(29)48/h1-25H.
What are the key properties of 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole?
9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole has a molecular weight of 627.71 g/mol, XLogP of 10.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 168721900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).