N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine

C53H45N — CID 134194251

IUPACN-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine
SMILESC=C/C=C\C=C\C/C=C\C(=C/C)N(c1ccc(-c2c3ccccc3cc3ccccc23)c(-c2ccccc2)c1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C53H45N/c1-5-7-8-9-10-11-15-26-41(6-2)54(43-31-33-47-46-29-20-21-30-50(46)53(3,4)51(47)37-43)42-32-34-48(49(36-42)38-22-13-12-14-23-38)52-44-27-18-16-24-39(44)35-40-25-17-19-28-45(40)52/h5-10,12-37H,1,11H2,2-4H3/b8-7-,10-9+,26-15-,41-6+
InChIKeyHOGGSCOLLKNPDC-LKZVASSKSA-N
MW695.95 g/mol
LogP14.92
Rot. Bonds10

About N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine

N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 134194251) has the molecular formula C53H45N and a molecular weight of 695.95 g/mol. Its IUPAC name is N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine
PubChem CID134194251
Molecular FormulaC53H45N
Molecular Weight695.95 g/mol
Exact Mass695.36
IUPAC NameN-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine
SMILESC=C/C=C\C=C\C/C=C\C(=C/C)N(c1ccc(-c2c3ccccc3cc3ccccc23)c(-c2ccccc2)c1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C53H45N/c1-5-7-8-9-10-11-15-26-41(6-2)54(43-31-33-47-46-29-20-21-30-50(46)53(3,4)51(47)37-43)42-32-34-48(49(36-42)38-22-13-12-14-23-38)52-44-27-18-16-24-39(44)35-40-25-17-19-28-45(40)52/h5-10,12-37H,1,11H2,2-4H3/b8-7-,10-9+,26-15-,41-6+
InChIKeyHOGGSCOLLKNPDC-LKZVASSKSA-N
XLogP14.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.95
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine 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-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine
CID 89241256
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 138623042
9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine
CID 146644000
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-naphthalen-1-yltriphenylen-1-amine
CID 177294651
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323

Frequently Asked Questions

What is the IUPAC name of N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine (CID 134194251) is N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine is C=C/C=C\C=C\C/C=C\C(=C/C)N(c1ccc(-c2c3ccccc3cc3ccccc23)c(-c2ccccc2)c1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is HOGGSCOLLKNPDC-LKZVASSKSA-N. The full InChI is InChI=1S/C53H45N/c1-5-7-8-9-10-11-15-26-41(6-2)54(43-31-33-47-46-29-20-21-30-50(46)53(3,4)51(47)37-43)42-32-34-48(49(36-42)38-22-13-12-14-23-38)52-44-27-18-16-24-39(44)35-40-25-17-19-28-45(40)52/h5-10,12-37H,1,11H2,2-4H3/b8-7-,10-9+,26-15-,41-6+.
What are the key properties of N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine?
N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 695.95 g/mol, XLogP of 14.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anthracen-9-yl-3-phenylphenyl)-N-[(2E,4Z,7E,9Z)-dodeca-2,4,7,9,11-pentaen-3-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 134194251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).