6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

C48H32N6O2 — CID 6801645

IUPAC6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNc1ccc2nc(-c3ccc(-c4nc(-c5ccccc5)c5cc(NC=C6C=CC=CC6=O)ccc5n4)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C48H32N6O2/c55-43-17-9-7-15-35(43)29-49-37-23-25-41-39(27-37)45(31-11-3-1-4-12-31)53-47(51-41)33-19-21-34(22-20-33)48-52-42-26-24-38(50-30-36-16-8-10-18-44(36)56)28-40(42)46(54-48)32-13-5-2-6-14-32/h1-30,49-50H
InChIKeyHDEMANPRJRHPLD-UHFFFAOYSA-N
MW724.82 g/mol
LogP10.22
Rot. Bonds8

About 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 6801645) has the molecular formula C48H32N6O2 and a molecular weight of 724.82 g/mol. Its IUPAC name is 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID6801645
Molecular FormulaC48H32N6O2
Molecular Weight724.82 g/mol
Exact Mass724.26
IUPAC Name6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNc1ccc2nc(-c3ccc(-c4nc(-c5ccccc5)c5cc(NC=C6C=CC=CC6=O)ccc5n4)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C48H32N6O2/c55-43-17-9-7-15-35(43)29-49-37-23-25-41-39(27-37)45(31-11-3-1-4-12-31)53-47(51-41)33-19-21-34(22-20-33)48-52-42-26-24-38(50-30-36-16-8-10-18-44(36)56)28-40(42)46(54-48)32-13-5-2-6-14-32/h1-30,49-50H
InChIKeyHDEMANPRJRHPLD-UHFFFAOYSA-N
XLogP10.22
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.82
LogP ≤ 510.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
6-(3,5-dinaphthalen-2-ylphenyl)-2,4-diphenylquinazoline;2,4-diphenyl-6-(4-phenylnaphthalen-1-yl)quinazoline;2,4-diphenyl-6-triphenylen-2-ylquinazoline
CID 158031758
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
(2,4-diphenylquinazolin-6-yl)oxyboronic acid
CID 175769307

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 6801645) is 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1=CNc1ccc2nc(-c3ccc(-c4nc(-c5ccccc5)c5cc(NC=C6C=CC=CC6=O)ccc5n4)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is HDEMANPRJRHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6O2/c55-43-17-9-7-15-35(43)29-49-37-23-25-41-39(27-37)45(31-11-3-1-4-12-31)53-47(51-41)33-19-21-34(22-20-33)48-52-42-26-24-38(50-30-36-16-8-10-18-44(36)56)28-40(42)46(54-48)32-13-5-2-6-14-32/h1-30,49-50H.
What are the key properties of 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?
6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 724.82 g/mol, XLogP of 10.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[4-[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-phenylquinazolin-2-yl]phenyl]-4-phenylquinazolin-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 6801645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).