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

C65H45N — CID 169019953

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-50(36-34-47)53-21-14-26-57(45-53)66(56-43-41-49(42-44-56)48-37-39-52(40-38-48)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-22-6-2-7-23-54)55-24-8-3-9-25-55/h1-45H
InChIKeyKZLZHMIUQSNGRF-UHFFFAOYSA-N
MW840.08 g/mol
LogP17.34
Rot. Bonds9

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

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169019953) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169019953
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-50(36-34-47)53-21-14-26-57(45-53)66(56-43-41-49(42-44-56)48-37-39-52(40-38-48)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-22-6-2-7-23-54)55-24-8-3-9-25-55/h1-45H
InChIKeyKZLZHMIUQSNGRF-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-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
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-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
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-(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
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 169019953) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is KZLZHMIUQSNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-50(36-34-47)53-21-14-26-57(45-53)66(56-43-41-49(42-44-56)48-37-39-52(40-38-48)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-22-6-2-7-23-54)55-24-8-3-9-25-55/h1-45H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[4-(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-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169019953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).