2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline

C39H32N2O — CID 166908910

IUPAC2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc(C4Nc5ccccc5C(c5cccc6ccccc56)N4)c3)c21
InChIInChI=1S/C39H32N2O/c1-39(2)32-20-6-8-22-34(32)42-35-23-11-18-29(36(35)39)26-14-9-15-27(24-26)38-40-33-21-7-5-17-31(33)37(41-38)30-19-10-13-25-12-3-4-16-28(25)30/h3-24,37-38,40-41H,1-2H3
InChIKeyQTEADARAFZNLJD-UHFFFAOYSA-N
MW544.70 g/mol
LogP9.74
Rot. Bonds3

About 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline

2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline (PubChem CID 166908910) has the molecular formula C39H32N2O and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline
PubChem CID166908910
Molecular FormulaC39H32N2O
Molecular Weight544.70 g/mol
Exact Mass544.25
IUPAC Name2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc(C4Nc5ccccc5C(c5cccc6ccccc56)N4)c3)c21
InChIInChI=1S/C39H32N2O/c1-39(2)32-20-6-8-22-34(32)42-35-23-11-18-29(36(35)39)26-14-9-15-27(24-26)38-40-33-21-7-5-17-31(33)37(41-38)30-19-10-13-25-12-3-4-16-28(25)30/h3-24,37-38,40-41H,1-2H3
InChIKeyQTEADARAFZNLJD-UHFFFAOYSA-N
XLogP9.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline with MolForge

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Related Compounds

1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541
N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine
CID 156564255
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163752152
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 147101765
2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 145202402
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
CID 146321805
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385
9-[4-[(2-methylphenyl)methyl]phenyl]phenanthrene;[3-[3-[4-(4-phenanthren-9-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl]phenyl]methanamine
CID 144856375
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline (CID 166908910) is 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline is CC1(C)c2ccccc2Oc2cccc(-c3cccc(C4Nc5ccccc5C(c5cccc6ccccc56)N4)c3)c21.
What is the InChIKey of 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is QTEADARAFZNLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2O/c1-39(2)32-20-6-8-22-34(32)42-35-23-11-18-29(36(35)39)26-14-9-15-27(24-26)38-40-33-21-7-5-17-31(33)37(41-38)30-19-10-13-25-12-3-4-16-28(25)30/h3-24,37-38,40-41H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline?
2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 544.70 g/mol, XLogP of 9.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 166908910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).