N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine

C71H47N — CID 169064250

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C71H47N/c1-5-22-50(23-6-1)68-61-32-16-15-31-58(61)59-45-42-52(47-63(59)69(68)51-24-7-2-8-25-51)48-39-43-55(44-40-48)72(66-37-19-34-57-56-30-14-13-21-49(56)41-46-60(57)66)67-38-20-36-65-70(67)62-33-17-18-35-64(62)71(65,53-26-9-3-10-27-53)54-28-11-4-12-29-54/h1-47H
InChIKeyNNBWJPCOYUDKIY-UHFFFAOYSA-N
MW914.16 g/mol
LogP19.13
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine

N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine (PubChem CID 169064250) has the molecular formula C71H47N and a molecular weight of 914.16 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
PubChem CID169064250
Molecular FormulaC71H47N
Molecular Weight914.16 g/mol
Exact Mass913.37
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C71H47N/c1-5-22-50(23-6-1)68-61-32-16-15-31-58(61)59-45-42-52(47-63(59)69(68)51-24-7-2-8-25-51)48-39-43-55(44-40-48)72(66-37-19-34-57-56-30-14-13-21-49(56)41-46-60(57)66)67-38-20-36-65-70(67)62-33-17-18-35-64(62)71(65,53-26-9-3-10-27-53)54-28-11-4-12-29-54/h1-47H
InChIKeyNNBWJPCOYUDKIY-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.16
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
CID 169065379
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065245
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169061887
N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 168802242
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
CID 167247224

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine (CID 169064250) is N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5ccc5ccccc56)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine?
The InChIKey is NNBWJPCOYUDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N/c1-5-22-50(23-6-1)68-61-32-16-15-31-58(61)59-45-42-52(47-63(59)69(68)51-24-7-2-8-25-51)48-39-43-55(44-40-48)72(66-37-19-34-57-56-30-14-13-21-49(56)41-46-60(57)66)67-38-20-36-65-70(67)62-33-17-18-35-64(62)71(65,53-26-9-3-10-27-53)54-28-11-4-12-29-54/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine has a molecular weight of 914.16 g/mol, XLogP of 19.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine is sourced from PubChem (CID 169064250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).