2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline

C43H30N2 — CID 155465517

IUPAC2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C43H30N2/c1-43(2)38-22-12-10-19-32(38)37-26-36(30-18-8-9-20-33(30)40(37)43)31-24-25-34(29-17-7-6-16-28(29)31)42-44-39-23-13-11-21-35(39)41(45-42)27-14-4-3-5-15-27/h3-26H,1-2H3
InChIKeyYTNYIPMLDZFRSM-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.24
Rot. Bonds3

About 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline

2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline (PubChem CID 155465517) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline
PubChem CID155465517
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4ccccc34)c3ccccc3c21
InChIInChI=1S/C43H30N2/c1-43(2)38-22-12-10-19-32(38)37-26-36(30-18-8-9-20-33(30)40(37)43)31-24-25-34(29-17-7-6-16-28(29)31)42-44-39-23-13-11-21-35(39)41(45-42)27-14-4-3-5-15-27/h3-26H,1-2H3
InChIKeyYTNYIPMLDZFRSM-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[4-(16,16-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472825
2-[3-(11,11-dimethylbenzo[a]fluoren-5-yl)phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 155474298
12,12-dimethyl-5-[3-(2-phenylquinazolin-4-yl)phenyl]indeno[1,2-c]carbazole
CID 139422523
2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 126536581
2-(9,9-dimethylthioxanthen-4-yl)-4-phenylquinazoline
CID 166908757
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4-phenylquinazoline
CID 118472845
3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
CID 146375384
2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
CID 163651714
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
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-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline (CID 155465517) is 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)c4ccccc34)c3ccccc3c21.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline?
The InChIKey is YTNYIPMLDZFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)38-22-12-10-19-32(38)37-26-36(30-18-8-9-20-33(30)40(37)43)31-24-25-34(29-17-7-6-16-28(29)31)42-44-39-23-13-11-21-35(39)41(45-42)27-14-4-3-5-15-27/h3-26H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline?
2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline has a molecular weight of 574.73 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline is sourced from PubChem (CID 155465517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).