2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline

C39H28N2 — CID 126536581

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cccc21
InChIInChI=1S/C39H28N2/c1-39(2)33-18-7-5-14-30(33)36-32(17-10-19-34(36)39)38-40-35-20-8-6-15-31(35)37(41-38)27-23-21-26(22-24-27)29-16-9-12-25-11-3-4-13-28(25)29/h3-24H,1-2H3
InChIKeyFXKGQIKBKSXORJ-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.09
Rot. Bonds3

About 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline

2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline (PubChem CID 126536581) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
PubChem CID126536581
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cccc21
InChIInChI=1S/C39H28N2/c1-39(2)33-18-7-5-14-30(33)36-32(17-10-19-34(36)39)38-40-35-20-8-6-15-31(35)37(41-38)27-23-21-26(22-24-27)29-16-9-12-25-11-3-4-13-28(25)29/h3-24H,1-2H3
InChIKeyFXKGQIKBKSXORJ-UHFFFAOYSA-N
XLogP10.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-2-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]thioxanthene-3-carbonitrile
CID 163512881
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625
2-(9,9-dimethylfluoren-4-yl)-4-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]quinazoline
CID 135298558
4-phenanthren-2-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537139
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine
CID 129200930
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923
2-(9,9-dimethylthioxanthen-4-yl)-4-phenylquinazoline
CID 166908757
2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline
CID 155465517
4-(3,5-diphenylphenyl)-2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylquinazoline
CID 155186335

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline (CID 126536581) is 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline?
The InChIKey is FXKGQIKBKSXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(2)33-18-7-5-14-30(33)36-32(17-10-19-34(36)39)38-40-35-20-8-6-15-31(35)37(41-38)27-23-21-26(22-24-27)29-16-9-12-25-11-3-4-13-28(25)29/h3-24H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline?
2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline has a molecular weight of 524.67 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline is sourced from PubChem (CID 126536581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).