8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole

C35H23N5 — CID 163632591

IUPAC8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole
SMILESc1ccc(-c2ccc(-c3nc(-n4ccc5ccc6ccn(-c7ccccc7)c6c54)c4ncccc4n3)cc2)cc1
InChIInChI=1S/C35H23N5/c1-3-8-24(9-4-1)25-13-17-28(18-14-25)34-37-30-12-7-21-36-31(30)35(38-34)40-23-20-27-16-15-26-19-22-39(32(26)33(27)40)29-10-5-2-6-11-29/h1-23H
InChIKeyHXKMBLUGIKGUEV-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.25
Rot. Bonds4

About 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole

8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole (PubChem CID 163632591) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole.

Molecular Properties

Compound Name8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole
PubChem CID163632591
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole
SMILESc1ccc(-c2ccc(-c3nc(-n4ccc5ccc6ccn(-c7ccccc7)c6c54)c4ncccc4n3)cc2)cc1
InChIInChI=1S/C35H23N5/c1-3-8-24(9-4-1)25-13-17-28(18-14-25)34-37-30-12-7-21-36-31(30)35(38-34)40-23-20-27-16-15-26-19-22-39(32(26)33(27)40)29-10-5-2-6-11-29/h1-23H
InChIKeyHXKMBLUGIKGUEV-UHFFFAOYSA-N
XLogP8.25
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole?
The IUPAC name of 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole (CID 163632591) is 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole.
What is the SMILES notation for 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole?
The canonical SMILES for 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole is c1ccc(-c2ccc(-c3nc(-n4ccc5ccc6ccn(-c7ccccc7)c6c54)c4ncccc4n3)cc2)cc1.
What is the InChIKey of 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole?
The InChIKey is HXKMBLUGIKGUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-3-8-24(9-4-1)25-13-17-28(18-14-25)34-37-30-12-7-21-36-31(30)35(38-34)40-23-20-27-16-15-26-19-22-39(32(26)33(27)40)29-10-5-2-6-11-29/h1-23H.
What are the key properties of 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole?
8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole has a molecular weight of 513.60 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1-[2-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-4-yl]pyrrolo[3,2-g]indole is sourced from PubChem (CID 163632591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).