5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline

C66H44N2 — CID 118529287

IUPAC5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c6c(n5)c(-c5ccccc5)cc5ccccc56)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-4-16-45(17-5-1)52-23-12-27-56(40-52)58-29-14-25-54(42-58)47-32-36-50(37-33-47)64-63-61-31-11-10-22-60(61)44-62(49-20-8-3-9-21-49)65(63)68-66(67-64)51-38-34-48(35-39-51)55-26-15-30-59(43-55)57-28-13-24-53(41-57)46-18-6-2-7-19-46/h1-44H
InChIKeyMGBWZBRKQKOYNN-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.79
Rot. Bonds9

About 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline

5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline (PubChem CID 118529287) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline.

Molecular Properties

Compound Name5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
PubChem CID118529287
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c6c(n5)c(-c5ccccc5)cc5ccccc56)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-4-16-45(17-5-1)52-23-12-27-56(40-52)58-29-14-25-54(42-58)47-32-36-50(37-33-47)64-63-61-31-11-10-22-60(61)44-62(49-20-8-3-9-21-49)65(63)68-66(67-64)51-38-34-48(35-39-51)55-26-15-30-59(43-55)57-28-13-24-53(41-57)46-18-6-2-7-19-46/h1-44H
InChIKeyMGBWZBRKQKOYNN-UHFFFAOYSA-N
XLogP17.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 517.79
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

5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568670
5-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568986
2,4-diphenyl-6-[3-[3-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-1,3,5-triazine
CID 134430186
3-[4-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinazoline
CID 118529237
4-phenyl-2-[4-(4-phenylphenyl)phenyl]phenanthro[9,10-d]pyrimidine
CID 155140914
1-[3-[4-(3-phenylphenyl)phenyl]phenyl]-3-[4-[4-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
CID 118529117
1-[4-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylbenzo[f]quinazoline
CID 118529244
4-phenyl-2-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229340
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2,4,6,8-tetraphenylquinazoline
CID 143301080

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The IUPAC name of 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline (CID 118529287) is 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline.
What is the SMILES notation for 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The canonical SMILES for 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c6c(n5)c(-c5ccccc5)cc5ccccc56)cc4)c3)c2)cc1.
What is the InChIKey of 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The InChIKey is MGBWZBRKQKOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-4-16-45(17-5-1)52-23-12-27-56(40-52)58-29-14-25-54(42-58)47-32-36-50(37-33-47)64-63-61-31-11-10-22-60(61)44-62(49-20-8-3-9-21-49)65(63)68-66(67-64)51-38-34-48(35-39-51)55-26-15-30-59(43-55)57-28-13-24-53(41-57)46-18-6-2-7-19-46/h1-44H.
What are the key properties of 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline has a molecular weight of 865.09 g/mol, XLogP of 17.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline is sourced from PubChem (CID 118529287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).