N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine

C65H45N — CID 169019623

IUPACN-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-19-46(20-5-1)47-37-39-48(40-38-47)52-23-16-28-55(45-52)66(62-35-15-13-30-58(62)51-43-41-50(42-44-51)57-32-17-22-49-21-10-11-29-56(49)57)63-36-18-34-61-64(63)59-31-12-14-33-60(59)65(61,53-24-6-2-7-25-53)54-26-8-3-9-27-54/h1-45H
InChIKeyKPCQVJVPMWPBLB-UHFFFAOYSA-N
MW840.08 g/mol
LogP17.34
Rot. Bonds9

About N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine

N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169019623) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169019623
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-19-46(20-5-1)47-37-39-48(40-38-47)52-23-16-28-55(45-52)66(62-35-15-13-30-58(62)51-43-41-50(42-44-51)57-32-17-22-49-21-10-11-29-56(49)57)63-36-18-34-61-64(63)59-31-12-14-33-60(59)65(61,53-24-6-2-7-25-53)54-26-8-3-9-27-54/h1-45H
InChIKeyKPCQVJVPMWPBLB-UHFFFAOYSA-N
XLogP17.34
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 ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019649
N-[4-[7-[4-[4-(4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]naphthalen-1-yl]phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167247172
N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 169019623) is N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4-c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is KPCQVJVPMWPBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-4-19-46(20-5-1)47-37-39-48(40-38-47)52-23-16-28-55(45-52)66(62-35-15-13-30-58(62)51-43-41-50(42-44-51)57-32-17-22-49-21-10-11-29-56(49)57)63-36-18-34-61-64(63)59-31-12-14-33-60(59)65(61,53-24-6-2-7-25-53)54-26-8-3-9-27-54/h1-45H.
What are the key properties of N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 840.08 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169019623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).