9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine

C39H29N3 — CID 130396291

IUPAC9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)nc(-c4ccccc4)nc3c2)c2ccccc21
InChIInChI=1S/C39H29N3/c1-39(2)32-19-8-10-21-35(32)42(36-22-11-9-20-33(36)39)28-23-24-31-34(25-28)40-38(27-14-4-3-5-15-27)41-37(31)30-18-12-16-26-13-6-7-17-29(26)30/h3-25H,1-2H3
InChIKeyQIUFKHAJSOCBCN-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.23
Rot. Bonds3

About 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine

9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine (PubChem CID 130396291) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
PubChem CID130396291
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)nc(-c4ccccc4)nc3c2)c2ccccc21
InChIInChI=1S/C39H29N3/c1-39(2)32-19-8-10-21-35(32)42(36-22-11-9-20-33(36)39)28-23-24-31-34(25-28)40-38(27-14-4-3-5-15-27)41-37(31)30-18-12-16-26-13-6-7-17-29(26)30/h3-25H,1-2H3
InChIKeyQIUFKHAJSOCBCN-UHFFFAOYSA-N
XLogP10.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372572
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-phenyl-2'-[2-(2-phenylquinazolin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 129263859
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine (CID 130396291) is 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine is CC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)nc(-c4ccccc4)nc3c2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine?
The InChIKey is QIUFKHAJSOCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-39(2)32-19-8-10-21-35(32)42(36-22-11-9-20-33(36)39)28-23-24-31-34(25-28)40-38(27-14-4-3-5-15-27)41-37(31)30-18-12-16-26-13-6-7-17-29(26)30/h3-25H,1-2H3.
What are the key properties of 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine?
9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine has a molecular weight of 539.68 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine is sourced from PubChem (CID 130396291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).