2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

C38H23ClN2O — CID 177283221

IUPAC2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6ccccc6)cc5)c34)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C38H23ClN2O/c39-38-40-36(35-32-12-4-5-15-33(32)42-37(35)41-38)29-22-20-27(21-23-29)31-14-7-11-28-10-6-13-30(34(28)31)26-18-16-25(17-19-26)24-8-2-1-3-9-24/h1-23H
InChIKeySLOYDQKZCDXWNK-UHFFFAOYSA-N
MW559.07 g/mol
LogP10.85
Rot. Bonds4

About 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 177283221) has the molecular formula C38H23ClN2O and a molecular weight of 559.07 g/mol. Its IUPAC name is 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID177283221
Molecular FormulaC38H23ClN2O
Molecular Weight559.07 g/mol
Exact Mass558.15
IUPAC Name2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6ccccc6)cc5)c34)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C38H23ClN2O/c39-38-40-36(35-32-12-4-5-15-33(32)42-37(35)41-38)29-22-20-27(21-23-29)31-14-7-11-28-10-6-13-30(34(28)31)26-18-16-25(17-19-26)24-8-2-1-3-9-24/h1-23H
InChIKeySLOYDQKZCDXWNK-UHFFFAOYSA-N
XLogP10.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.07
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 118544087
2-chloro-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-pyridin-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 160802720
4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]-2-chloro-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 159786687
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489906
2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648513
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-naphthalen-1-yl-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 129129194
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
2-(4-phenylphenyl)-4-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158409214
2-phenyl-4-[2-[2-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 177283221) is 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is Clc1nc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6ccccc6)cc5)c34)cc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is SLOYDQKZCDXWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClN2O/c39-38-40-36(35-32-12-4-5-15-33(32)42-37(35)41-38)29-22-20-27(21-23-29)31-14-7-11-28-10-6-13-30(34(28)31)26-18-16-25(17-19-26)24-8-2-1-3-9-24/h1-23H.
What are the key properties of 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 559.07 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 177283221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).