4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline

C42H26N2O — CID 155326645

IUPAC4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccc7c8ccccc8oc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)30-18-21-32(22-19-30)42-43-38-12-6-4-11-36(38)40(44-42)33-23-20-31-24-25-35-34-10-5-7-13-39(34)45-41(35)37(31)26-33/h1-26H
InChIKeySGIQLNBBFAXAQS-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline

4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline (PubChem CID 155326645) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
PubChem CID155326645
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccc7c8ccccc8oc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)30-18-21-32(22-19-30)42-43-38-12-6-4-11-36(38)40(44-42)33-23-20-31-24-25-35-34-10-5-7-13-39(34)45-41(35)37(31)26-33/h1-26H
InChIKeySGIQLNBBFAXAQS-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 163626676
14-[4-[2-phenyl-4,6-bis(3-phenylphenyl)pyrimidin-5-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123311
14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123553
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
14-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124581

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline?
The IUPAC name of 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline (CID 155326645) is 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline.
What is the SMILES notation for 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline?
The canonical SMILES for 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccc7c8ccccc8oc7c6c5)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline?
The InChIKey is SGIQLNBBFAXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-8-27(9-3-1)28-14-16-29(17-15-28)30-18-21-32(22-19-30)42-43-38-12-6-4-11-36(38)40(44-42)33-23-20-31-24-25-35-34-10-5-7-13-39(34)45-41(35)37(31)26-33/h1-26H.
What are the key properties of 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline?
4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline is sourced from PubChem (CID 155326645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).