N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine

C65H43N — CID 168846075

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C65H43N/c1-3-24-47(25-4-1)65(48-26-5-2-6-27-48)60-36-15-13-34-58(60)64-61(65)37-19-39-63(64)66(49-40-41-57-55-32-10-9-30-53(55)54-31-11-12-33-56(54)59(57)43-49)62-38-16-14-29-52(62)46-23-17-22-45(42-46)51-35-18-21-44-20-7-8-28-50(44)51/h1-43H
InChIKeyPWCVLIRGXZJIQX-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.47
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine

N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine (PubChem CID 168846075) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
PubChem CID168846075
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C65H43N/c1-3-24-47(25-4-1)65(48-26-5-2-6-27-48)60-36-15-13-34-58(60)64-61(65)37-19-39-63(64)66(49-40-41-57-55-32-10-9-30-53(55)54-31-11-12-33-56(54)59(57)43-49)62-38-16-14-29-52(62)46-23-17-22-45(42-46)51-35-18-21-44-20-7-8-28-50(44)51/h1-43H
InChIKeyPWCVLIRGXZJIQX-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 517.47
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-[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-(9,9-diphenylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 155305081
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 171451830
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine (CID 168846075) is N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine?
The InChIKey is PWCVLIRGXZJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-3-24-47(25-4-1)65(48-26-5-2-6-27-48)60-36-15-13-34-58(60)64-61(65)37-19-39-63(64)66(49-40-41-57-55-32-10-9-30-53(55)54-31-11-12-33-56(54)59(57)43-49)62-38-16-14-29-52(62)46-23-17-22-45(42-46)51-35-18-21-44-20-7-8-28-50(44)51/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 838.07 g/mol, XLogP of 17.47, 7 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-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 168846075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).