10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one

C53H33NO — CID 155653986

IUPAC10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=Cc2ccc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C53H33NO/c55-53-48-19-9-7-17-44(48)51(45-18-8-10-20-49(45)53)30-34-21-27-46-47-28-26-41(33-52(47)43-16-6-5-15-42(43)50(46)29-34)54(39-24-22-35-11-1-3-13-37(35)31-39)40-25-23-36-12-2-4-14-38(36)32-40/h1-33H
InChIKeyHNSGABMNGZKAGZ-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.06
Rot. Bonds4

About 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one

10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one (PubChem CID 155653986) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one
PubChem CID155653986
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC Name10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=Cc2ccc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C53H33NO/c55-53-48-19-9-7-17-44(48)51(45-18-8-10-20-49(45)53)30-34-21-27-46-47-28-26-41(33-52(47)43-16-6-5-15-42(43)50(46)29-34)54(39-24-22-35-11-1-3-13-37(35)31-39)40-25-23-36-12-2-4-14-38(36)32-40/h1-33H
InChIKeyHNSGABMNGZKAGZ-UHFFFAOYSA-N
XLogP14.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 51348392
2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 161266677
2-[[6-[bis[9,9-di(propan-2-yl)fluoren-2-yl]amino]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 58175010
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869094
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
2-[[4-(N-phenylanilino)phenyl]methylidene]indene-1,3-dione
CID 22982112
N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine
CID 166845961
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533

Frequently Asked Questions

What is the IUPAC name of 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one?
The IUPAC name of 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one (CID 155653986) is 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one.
What is the SMILES notation for 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one?
The canonical SMILES for 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one is O=C1c2ccccc2C(=Cc2ccc3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one?
The InChIKey is HNSGABMNGZKAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c55-53-48-19-9-7-17-44(48)51(45-18-8-10-20-49(45)53)30-34-21-27-46-47-28-26-41(33-52(47)43-16-6-5-15-42(43)50(46)29-34)54(39-24-22-35-11-1-3-13-37(35)31-39)40-25-23-36-12-2-4-14-38(36)32-40/h1-33H.
What are the key properties of 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one?
10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one has a molecular weight of 699.85 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[7-(dinaphthalen-2-ylamino)triphenylen-2-yl]methylidene]anthracen-9-one is sourced from PubChem (CID 155653986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).