2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline

C53H34N2 — CID 155465892

IUPAC2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c6c(ccc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-4-16-37(17-5-1)50-47-32-31-35-15-10-11-22-42(35)51(47)55-52(54-50)38-29-27-36(28-30-38)41-24-14-25-45-43(41)33-34-46-44-23-12-13-26-48(44)53(49(45)46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H
InChIKeyLLFGPXJIXHSVSA-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.30
Rot. Bonds5

About 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline

2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline (PubChem CID 155465892) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline
PubChem CID155465892
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c6c(ccc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-4-16-37(17-5-1)50-47-32-31-35-15-10-11-22-42(35)51(47)55-52(54-50)38-29-27-36(28-30-38)41-24-14-25-45-43(41)33-34-46-44-23-12-13-26-48(44)53(49(45)46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H
InChIKeyLLFGPXJIXHSVSA-UHFFFAOYSA-N
XLogP13.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
4-(11,11-diphenylbenzo[a]fluoren-4-yl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 155465812
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 155465388
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 161413530
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 162487428
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 157197876
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]-3-phenylquinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 161422576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline (CID 155465892) is 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccc(-c4cccc5c6c(ccc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline?
The InChIKey is LLFGPXJIXHSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-16-37(17-5-1)50-47-32-31-35-15-10-11-22-42(35)51(47)55-52(54-50)38-29-27-36(28-30-38)41-24-14-25-45-43(41)33-34-46-44-23-12-13-26-48(44)53(49(45)46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H.
What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline?
2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline has a molecular weight of 698.87 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 155465892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).