2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline

C30H18N2O — CID 155473673

IUPAC2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2O/c1-2-8-19(9-3-1)29-23-10-4-6-12-25(23)31-30(32-29)21-14-16-22-20(18-21)15-17-27-28(22)24-11-5-7-13-26(24)33-27/h1-18H
InChIKeyPSPBRARXMIGONM-UHFFFAOYSA-N
MW422.49 g/mol
LogP8.02
Rot. Bonds2

About 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline

2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline (PubChem CID 155473673) has the molecular formula C30H18N2O and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
PubChem CID155473673
Molecular FormulaC30H18N2O
Molecular Weight422.49 g/mol
Exact Mass422.14
IUPAC Name2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2O/c1-2-8-19(9-3-1)29-23-10-4-6-12-25(23)31-30(32-29)21-14-16-22-20(18-21)15-17-27-28(22)24-11-5-7-13-26(24)33-27/h1-18H
InChIKeyPSPBRARXMIGONM-UHFFFAOYSA-N
XLogP8.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 164721487
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
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
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)-1-phenylbenzo[f]quinazoline
CID 167698842
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
4-dibenzothiophen-4-yl-2-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)quinazoline
CID 164721676
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
14-phenyl-2-[4-(2-phenylquinazolin-4-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246719
2-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)-4-phenylquinazoline;2-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-4-phenylquinazoline;4-phenyl-2-(9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)quinazoline
CID 164998343
2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
CID 165009597
4-dibenzofuran-1-yl-2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-2-phenylquinazoline;2-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-4-phenylquinazoline
CID 167694805

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline?
The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline (CID 155473673) is 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline?
The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline?
The InChIKey is PSPBRARXMIGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O/c1-2-8-19(9-3-1)29-23-10-4-6-12-25(23)31-30(32-29)21-14-16-22-20(18-21)15-17-27-28(22)24-11-5-7-13-26(24)33-27/h1-18H.
What are the key properties of 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline?
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline has a molecular weight of 422.49 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline is sourced from PubChem (CID 155473673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).