9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile

C34H23N3O — CID 163981227

IUPAC9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2Oc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4ccccc34)cc21
InChIInChI=1S/C34H23N3O/c1-34(2)27-17-21(20-35)11-15-30(27)38-31-16-14-24(19-28(31)34)32-26-9-5-6-10-29(26)36-33(37-32)25-13-12-22-7-3-4-8-23(22)18-25/h3-19H,1-2H3
InChIKeySYNSRHLCGDGLKC-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.42
Rot. Bonds2

About 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile

9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile (PubChem CID 163981227) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile.

Molecular Properties

Compound Name9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile
PubChem CID163981227
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2Oc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4ccccc34)cc21
InChIInChI=1S/C34H23N3O/c1-34(2)27-17-21(20-35)11-15-30(27)38-31-16-14-24(19-28(31)34)32-26-9-5-6-10-29(26)36-33(37-32)25-13-12-22-7-3-4-8-23(22)18-25/h3-19H,1-2H3
InChIKeySYNSRHLCGDGLKC-UHFFFAOYSA-N
XLogP8.42
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
7-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-9,9-dimethylxanthene-3-carbonitrile
CID 163425591
9,9-dimethyl-1-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]xanthene-2-carbonitrile
CID 163621824
9,9-dimethyl-5-[2-[2-(4-naphthalen-2-ylphenyl)quinazolin-4-yl]phenyl]xanthene-4-carbonitrile
CID 163595980
4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
9,9-dimethyl-6-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]xanthene-2-carbonitrile
CID 163596368
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile?
The IUPAC name of 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile (CID 163981227) is 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile.
What is the SMILES notation for 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile?
The canonical SMILES for 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2Oc2ccc(-c3nc(-c4ccc5ccccc5c4)nc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile?
The InChIKey is SYNSRHLCGDGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-34(2)27-17-21(20-35)11-15-30(27)38-31-16-14-24(19-28(31)34)32-26-9-5-6-10-29(26)36-33(37-32)25-13-12-22-7-3-4-8-23(22)18-25/h3-19H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile?
9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile has a molecular weight of 489.58 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(2-naphthalen-2-ylquinazolin-4-yl)xanthene-2-carbonitrile is sourced from PubChem (CID 163981227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).