N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine

C65H45N — CID 177294607

IUPACN-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c5ccccc5c5ccccc5c4cc3-c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C65H45N/c1-65(2)62-32-14-13-29-57(62)58-38-37-46(39-63(58)65)66(45-35-33-44(34-36-45)48-30-15-19-42-17-3-5-21-47(42)48)64-41-60-55-27-11-8-25-53(55)52-24-7-10-26-54(52)59(60)40-61(64)56-28-12-9-23-51(56)50-31-16-20-43-18-4-6-22-49(43)50/h3-41H,1-2H3
InChIKeyMVRRSXWUQWWBIB-UHFFFAOYSA-N
MW840.08 g/mol
LogP18.23
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine (PubChem CID 177294607) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
PubChem CID177294607
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c5ccccc5c5ccccc5c4cc3-c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C65H45N/c1-65(2)62-32-14-13-29-57(62)58-38-37-46(39-63(58)65)66(45-35-33-44(34-36-45)48-30-15-19-42-17-3-5-21-47(42)48)64-41-60-55-27-11-8-25-53(55)52-24-7-10-26-54(52)59(60)40-61(64)56-28-12-9-23-51(56)50-31-16-20-43-18-4-6-22-49(43)50/h3-41H,1-2H3
InChIKeyMVRRSXWUQWWBIB-UHFFFAOYSA-N
XLogP18.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 518.23
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

9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167234954
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
CID 155181855

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine (CID 177294607) is N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c5ccccc5c5ccccc5c4cc3-c3ccccc3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine?
The InChIKey is MVRRSXWUQWWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-65(2)62-32-14-13-29-57(62)58-38-37-46(39-63(58)65)66(45-35-33-44(34-36-45)48-30-15-19-42-17-3-5-21-47(42)48)64-41-60-55-27-11-8-25-53(55)52-24-7-10-26-54(52)59(60)40-61(64)56-28-12-9-23-51(56)50-31-16-20-43-18-4-6-22-49(43)50/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine has a molecular weight of 840.08 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine is sourced from PubChem (CID 177294607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).