2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline

C43H28N2O — CID 146388381

IUPAC2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C43H28N2O/c1-3-15-33(16-4-1)43(34-17-5-2-6-18-34)36-20-10-12-22-39(36)46-40-28-32(25-26-37(40)43)42-44-38-21-11-9-19-35(38)41(45-42)31-24-23-29-13-7-8-14-30(29)27-31/h1-28H
InChIKeyCITSJGLCEUBOTF-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.61
Rot. Bonds4

About 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline

2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline (PubChem CID 146388381) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline.

Molecular Properties

Compound Name2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
PubChem CID146388381
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C43H28N2O/c1-3-15-33(16-4-1)43(34-17-5-2-6-18-34)36-20-10-12-22-39(36)46-40-28-32(25-26-37(40)43)42-44-38-21-11-9-19-35(38)41(45-42)31-24-23-29-13-7-8-14-30(29)27-31/h1-28H
InChIKeyCITSJGLCEUBOTF-UHFFFAOYSA-N
XLogP10.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
CID 144856654
CID 146184411
CID 146184411
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
CID 166031504
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline?
The IUPAC name of 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline (CID 146388381) is 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline.
What is the SMILES notation for 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline?
The canonical SMILES for 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline?
The InChIKey is CITSJGLCEUBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-3-15-33(16-4-1)43(34-17-5-2-6-18-34)36-20-10-12-22-39(36)46-40-28-32(25-26-37(40)43)42-44-38-21-11-9-19-35(38)41(45-42)31-24-23-29-13-7-8-14-30(29)27-31/h1-28H.
What are the key properties of 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline?
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline has a molecular weight of 588.71 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline is sourced from PubChem (CID 146388381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).