N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine

C65H45N — CID 154935961

IUPACN-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESC=C/C(=C\C=C\N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C65H45N/c1-2-45(60-42-47-20-9-11-27-53(47)55-29-13-15-31-57(55)60)22-19-41-66(51-37-35-46(36-38-51)61-43-48-21-10-12-28-54(48)56-30-14-16-32-58(56)61)52-39-40-64-62(44-52)59-33-17-18-34-63(59)65(64,49-23-5-3-6-24-49)50-25-7-4-8-26-50/h2-44H,1H2/b41-19+,45-22+
InChIKeyWUIRSUZRVAAAME-LINLFGCYSA-N
MW840.08 g/mol
LogP17.25
Rot. Bonds9

About N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine

N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 154935961) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID154935961
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESC=C/C(=C\C=C\N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C65H45N/c1-2-45(60-42-47-20-9-11-27-53(47)55-29-13-15-31-57(55)60)22-19-41-66(51-37-35-46(36-38-51)61-43-48-21-10-12-28-54(48)56-30-14-16-32-58(56)61)52-39-40-64-62(44-52)59-33-17-18-34-63(59)65(64,49-23-5-3-6-24-49)50-25-7-4-8-26-50/h2-44H,1H2/b41-19+,45-22+
InChIKeyWUIRSUZRVAAAME-LINLFGCYSA-N
XLogP17.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-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

N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-[(1E,3E,5Z)-6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenanthren-9-ylhexa-1,3,5-trienyl]-4-phenanthren-9-ylaniline
CID 142614451
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
4-phenanthren-9-yl-3-phenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-(4-phenylphenyl)aniline
CID 158963626
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 153471387

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 154935961) is N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine is C=C/C(=C\C=C\N(c1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is WUIRSUZRVAAAME-LINLFGCYSA-N. The full InChI is InChI=1S/C65H45N/c1-2-45(60-42-47-20-9-11-27-53(47)55-29-13-15-31-57(55)60)22-19-41-66(51-37-35-46(36-38-51)61-43-48-21-10-12-28-54(48)56-30-14-16-32-58(56)61)52-39-40-64-62(44-52)59-33-17-18-34-63(59)65(64,49-23-5-3-6-24-49)50-25-7-4-8-26-50/h2-44H,1H2/b41-19+,45-22+.
What are the key properties of N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 840.08 g/mol, XLogP of 17.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4-phenanthren-9-ylhexa-1,3,5-trienyl]-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 154935961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).