3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline

C48H32N2 — CID 118529300

IUPAC3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)nc6ccc7ccccc7c56)c4)c3)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)36-19-11-20-37(30-36)38-21-12-22-39(31-38)40-23-13-24-41(32-40)47-46-43-26-8-7-18-35(43)28-29-45(46)49-48(50-47)44-27-10-9-25-42(44)34-16-5-2-6-17-34/h1-32H
InChIKeyHFVBGXRGOPAUKK-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.78
Rot. Bonds6

About 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline

3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline (PubChem CID 118529300) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline.

Molecular Properties

Compound Name3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
PubChem CID118529300
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)nc6ccc7ccccc7c56)c4)c3)c2)cc1
InChIInChI=1S/C48H32N2/c1-3-14-33(15-4-1)36-19-11-20-37(30-36)38-21-12-22-39(31-38)40-23-13-24-41(32-40)47-46-43-26-8-7-18-35(43)28-29-45(46)49-48(50-47)44-27-10-9-25-42(44)34-16-5-2-6-17-34/h1-32H
InChIKeyHFVBGXRGOPAUKK-UHFFFAOYSA-N
XLogP12.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.78
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

1-[3-[4-(3-phenylphenyl)phenyl]phenyl]-3-[4-[4-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
CID 118529117
3-[4-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinazoline
CID 118529237
3-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-naphthalen-1-ylbenzo[f]quinazoline
CID 118529301
1-[4-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylbenzo[f]quinazoline
CID 118529244
3-naphthalen-2-yl-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline;bis(2-naphthalen-2-yl-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline);3-naphthalen-2-yl-1-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[h]quinazoline
CID 160741572
12-[5-[4-(3-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149842
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
2-phenanthren-4-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416284
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643962
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The IUPAC name of 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline (CID 118529300) is 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline.
What is the SMILES notation for 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The canonical SMILES for 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6-c6ccccc6)nc6ccc7ccccc7c56)c4)c3)c2)cc1.
What is the InChIKey of 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
The InChIKey is HFVBGXRGOPAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-14-33(15-4-1)36-19-11-20-37(30-36)38-21-12-22-39(31-38)40-23-13-24-41(32-40)47-46-43-26-8-7-18-35(43)28-29-45(46)49-48(50-47)44-27-10-9-25-42(44)34-16-5-2-6-17-34/h1-32H.
What are the key properties of 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline?
3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline has a molecular weight of 636.80 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline is sourced from PubChem (CID 118529300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).