2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline

C42H30N2O — CID 166996088

IUPAC2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc21
InChIInChI=1S/C42H30N2O/c1-41(2)30-17-7-8-18-32(30)42(33-19-9-12-22-37(33)45-38-23-13-10-20-34(38)42)35-26-28(24-25-31(35)41)40-43-36-21-11-6-16-29(36)39(44-40)27-14-4-3-5-15-27/h3-26H,1-2H3
InChIKeyFXAHXZRXAJOKPP-UHFFFAOYSA-N
MW578.72 g/mol
LogP10.09
Rot. Bonds2

About 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline

2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline (PubChem CID 166996088) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
PubChem CID166996088
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC Name2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc21
InChIInChI=1S/C42H30N2O/c1-41(2)30-17-7-8-18-32(30)42(33-19-9-12-22-37(33)45-38-23-13-10-20-34(38)42)35-26-28(24-25-31(35)41)40-43-36-21-11-6-16-29(36)39(44-40)27-14-4-3-5-15-27/h3-26H,1-2H3
InChIKeyFXAHXZRXAJOKPP-UHFFFAOYSA-N
XLogP10.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
CID 146184411
CID 146184411
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
2-(10,10-dimethyl-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)-4-phenylquinazoline
CID 138574402
2-dibenzothiophen-3-yl-4-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-6-phenylpyrimidine
CID 146495613
4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
CID 166908672
4-[3-[4-(9,9-diphenylxanthen-2-yl)phenyl]phenyl]-2-phenylquinazoline
CID 166914768
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
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
2-[3-(10,10-dimethyl-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-17-yl)phenyl]-4-phenylquinazoline
CID 138574124

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline?
The IUPAC name of 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline (CID 166996088) is 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline is CC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.
What is the InChIKey of 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline?
The InChIKey is FXAHXZRXAJOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-41(2)30-17-7-8-18-32(30)42(33-19-9-12-22-37(33)45-38-23-13-10-20-34(38)42)35-26-28(24-25-31(35)41)40-43-36-21-11-6-16-29(36)39(44-40)27-14-4-3-5-15-27/h3-26H,1-2H3.
What are the key properties of 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline?
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline has a molecular weight of 578.72 g/mol, XLogP of 10.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline is sourced from PubChem (CID 166996088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).