N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine

C51H35N — CID 171451057

IUPACN-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C51H35N/c1-3-22-39(23-4-1)51(40-24-5-2-6-25-40)46-31-12-11-29-45(46)50-47(51)32-16-34-49(50)52(48-33-15-20-37-18-8-10-28-44(37)48)41-26-13-21-38(35-41)43-30-14-19-36-17-7-9-27-42(36)43/h1-35H/i13D,21D,26D,35D
InChIKeyPOEKJLASRNJWHK-JMMLSULQSA-N
MW665.87 g/mol
LogP13.49
Rot. Bonds6

About N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine

N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine (PubChem CID 171451057) has the molecular formula C51H35N and a molecular weight of 665.87 g/mol. Its IUPAC name is N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine
PubChem CID171451057
Molecular FormulaC51H35N
Molecular Weight665.87 g/mol
Exact Mass665.30
IUPAC NameN-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)c1[2H]
InChIInChI=1S/C51H35N/c1-3-22-39(23-4-1)51(40-24-5-2-6-25-40)46-31-12-11-29-45(46)50-47(51)32-16-34-49(50)52(48-33-15-20-37-18-8-10-28-44(37)48)41-26-13-21-38(35-41)43-30-14-19-36-17-7-9-27-42(36)43/h1-35H/i13D,21D,26D,35D
InChIKeyPOEKJLASRNJWHK-JMMLSULQSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.87
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 171452058
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine
CID 171451126
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451470
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451854
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
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-(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-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
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)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine?
The IUPAC name of N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine (CID 171451057) is N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)c1[2H].
What is the InChIKey of N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine?
The InChIKey is POEKJLASRNJWHK-JMMLSULQSA-N. The full InChI is InChI=1S/C51H35N/c1-3-22-39(23-4-1)51(40-24-5-2-6-25-40)46-31-12-11-29-45(46)50-47(51)32-16-34-49(50)52(48-33-15-20-37-18-8-10-28-44(37)48)41-26-13-21-38(35-41)43-30-14-19-36-17-7-9-27-42(36)43/h1-35H/i13D,21D,26D,35D.
What are the key properties of N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine?
N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine has a molecular weight of 665.87 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 171451057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).