2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline

C48H32N4 — CID 176785173

IUPAC2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline
SMILESC1=CC(c2cccc(-c3ccc4nc(-c5ccccc5)nc(-c5ccccc5)c4c3)c2)Nc2c1ccc1ccc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C48H32N4/c1-3-12-32(13-4-1)45-41-30-37(25-28-44(41)51-48(52-45)35-14-5-2-6-15-35)36-17-9-18-38(29-36)42-26-23-33-21-22-34-24-27-43(50-47(34)46(33)49-42)40-20-10-16-31-11-7-8-19-39(31)40/h1-30,42,49H
InChIKeyQKCWQMAIHBPWQZ-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.18
Rot. Bonds5

About 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline

2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline (PubChem CID 176785173) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline
PubChem CID176785173
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline
SMILESC1=CC(c2cccc(-c3ccc4nc(-c5ccccc5)nc(-c5ccccc5)c4c3)c2)Nc2c1ccc1ccc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C48H32N4/c1-3-12-32(13-4-1)45-41-30-37(25-28-44(41)51-48(52-45)35-14-5-2-6-15-35)36-17-9-18-38(29-36)42-26-23-33-21-22-34-24-27-43(50-47(34)46(33)49-42)40-20-10-16-31-11-7-8-19-39(31)40/h1-30,42,49H
InChIKeyQKCWQMAIHBPWQZ-UHFFFAOYSA-N
XLogP12.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
2-(3-naphthalen-2-ylphenyl)-9-[4-[4-phenyl-2-(4-phenylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167704
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
20-[4-(9-phenyl-1,2-dihydro-1,10-phenanthrolin-2-yl)phenyl]-24-thia-2,9-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18(23),19,21-decaene
CID 129128010
3-[4-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinazoline
CID 118529237
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
3-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-naphthalen-1-ylbenzo[f]quinazoline
CID 118529301
7-methyl-2-naphthalen-2-yl-9-[3-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
CID 163418076
2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline
CID 158498033
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline (CID 176785173) is 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline is C1=CC(c2cccc(-c3ccc4nc(-c5ccccc5)nc(-c5ccccc5)c4c3)c2)Nc2c1ccc1ccc(-c3cccc4ccccc34)nc21.
What is the InChIKey of 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline?
The InChIKey is QKCWQMAIHBPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-3-12-32(13-4-1)45-41-30-37(25-28-44(41)51-48(52-45)35-14-5-2-6-15-35)36-17-9-18-38(29-36)42-26-23-33-21-22-34-24-27-43(50-47(34)46(33)49-42)40-20-10-16-31-11-7-8-19-39(31)40/h1-30,42,49H.
What are the key properties of 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline?
2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline has a molecular weight of 664.81 g/mol, XLogP of 12.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 176785173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).