N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine

C67H45N — CID 155305081

IUPACN-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C67H45N/c1-4-23-47(24-5-1)54-34-17-19-43-62(54)68(63-44-22-42-61-65(63)59-39-16-18-41-60(59)67(61,50-29-6-2-7-30-50)51-31-8-3-9-32-51)66-58-38-15-13-36-56(58)55-35-12-14-37-57(55)64(66)49-28-20-27-48(45-49)53-40-21-26-46-25-10-11-33-52(46)53/h1-45H
InChIKeySUKCEQSGSHCVJR-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.98
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine

N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine (PubChem CID 155305081) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
PubChem CID155305081
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C67H45N/c1-4-23-47(24-5-1)54-34-17-19-43-62(54)68(63-44-22-42-61-65(63)59-39-16-18-41-60(59)67(61,50-29-6-2-7-30-50)51-31-8-3-9-32-51)66-58-38-15-13-36-56(58)55-35-12-14-37-57(55)64(66)49-28-20-27-48(45-49)53-40-21-26-46-25-10-11-33-52(46)53/h1-45H
InChIKeySUKCEQSGSHCVJR-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019649
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(9,9-diphenylfluoren-4-yl)-N-[4-[3-[10-[N-(9,9-diphenylfluoren-4-yl)-4-[4-[3-[10-(N-(9,9-diphenylfluoren-4-yl)-3-phenylanilino)phenanthren-9-yl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-10-phenylphenanthren-9-amine
CID 155305136
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155305219

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine (CID 155305081) is N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine?
The InChIKey is SUKCEQSGSHCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-4-23-47(24-5-1)54-34-17-19-43-62(54)68(63-44-22-42-61-65(63)59-39-16-18-41-60(59)67(61,50-29-6-2-7-30-50)51-31-8-3-9-32-51)66-58-38-15-13-36-56(58)55-35-12-14-37-57(55)64(66)49-28-20-27-48(45-49)53-40-21-26-46-25-10-11-33-52(46)53/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine?
N-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine has a molecular weight of 864.10 g/mol, XLogP of 17.98, 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)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155305081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).