N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine

C69H47NO — CID 167234158

IUPACN-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
SMILESC1=CC(c2ccc3c(c2)oc2ccccc23)CC=C1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1cc(-c2cc3ccccc3c3ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C69H47NO/c1-4-18-47(19-5-1)56-39-35-50(63-42-49-20-10-11-25-55(49)57-26-12-13-27-58(57)63)43-66(56)70(53-36-32-46(33-37-53)48-34-40-62-61-29-15-17-31-67(61)71-68(62)44-48)54-38-41-60-59-28-14-16-30-64(59)69(65(60)45-54,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-32,34-46H,33H2
InChIKeyPNYAIUNIZUITHX-UHFFFAOYSA-N
MW906.14 g/mol
LogP18.36
Rot. Bonds8

About N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine

N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 167234158) has the molecular formula C69H47NO and a molecular weight of 906.14 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID167234158
Molecular FormulaC69H47NO
Molecular Weight906.14 g/mol
Exact Mass905.37
IUPAC NameN-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
SMILESC1=CC(c2ccc3c(c2)oc2ccccc23)CC=C1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1cc(-c2cc3ccccc3c3ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C69H47NO/c1-4-18-47(19-5-1)56-39-35-50(63-42-49-20-10-11-25-55(49)57-26-12-13-27-58(57)63)43-66(56)70(53-36-32-46(33-37-53)48-34-40-62-61-29-15-17-31-67(61)71-68(62)44-48)54-38-41-60-59-28-14-16-30-64(59)69(65(60)45-54,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-32,34-46H,33H2
InChIKeyPNYAIUNIZUITHX-UHFFFAOYSA-N
XLogP18.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.14
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-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

N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 153471126
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 144660759

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine (CID 167234158) is N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine is C1=CC(c2ccc3c(c2)oc2ccccc23)CC=C1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1cc(-c2cc3ccccc3c3ccccc23)ccc1-c1ccccc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is PNYAIUNIZUITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47NO/c1-4-18-47(19-5-1)56-39-35-50(63-42-49-20-10-11-25-55(49)57-26-12-13-27-58(57)63)43-66(56)70(53-36-32-46(33-37-53)48-34-40-62-61-29-15-17-31-67(61)71-68(62)44-48)54-38-41-60-59-28-14-16-30-64(59)69(65(60)45-54,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-32,34-46H,33H2.
What are the key properties of N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine?
N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 906.14 g/mol, XLogP of 18.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167234158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).