5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole

C51H31N5O — CID 54752792

IUPAC5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cccc6c5c4)cc3c3ncccc32)cc1
InChIInChI=1S/C51H31N5O/c1-2-11-35(12-3-1)55-43-23-20-32(30-40(43)49-45(55)18-9-27-53-49)33-22-25-48-39(29-33)38-15-8-17-47(51(38)57-48)56-44-24-21-34(31-41(44)50-46(56)19-10-28-54-50)36-13-4-5-14-37(36)42-16-6-7-26-52-42/h1-31H
InChIKeyKSPRJWDPNMUERH-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole

5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole (PubChem CID 54752792) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
PubChem CID54752792
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cccc6c5c4)cc3c3ncccc32)cc1
InChIInChI=1S/C51H31N5O/c1-2-11-35(12-3-1)55-43-23-20-32(30-40(43)49-45(55)18-9-27-53-49)33-22-25-48-39(29-33)38-15-8-17-47(51(38)57-48)56-44-24-21-34(31-41(44)50-46(56)19-10-28-54-50)36-13-4-5-14-37(36)42-16-6-7-26-52-42/h1-31H
InChIKeyKSPRJWDPNMUERH-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole 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 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole (CID 54752792) is 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole is c1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cccc6c5c4)cc3c3ncccc32)cc1.
What is the InChIKey of 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole?
The InChIKey is KSPRJWDPNMUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-2-11-35(12-3-1)55-43-23-20-32(30-40(43)49-45(55)18-9-27-53-49)33-22-25-48-39(29-33)38-15-8-17-47(51(38)57-48)56-44-24-21-34(31-41(44)50-46(56)19-10-28-54-50)36-13-4-5-14-37(36)42-16-6-7-26-52-42/h1-31H.
What are the key properties of 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole?
5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 54752792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).