9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine

C59H41N — CID 171452876

IUPAC9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C59H41N/c1-4-18-44(19-5-1)53-29-13-15-33-58(53)60(49-36-34-42(35-37-49)45-22-16-23-46(40-45)52-31-17-21-43-20-10-11-28-51(43)52)50-38-39-55-54-30-12-14-32-56(54)59(57(55)41-50,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-41H/i34D,35D,36D,37D
InChIKeyUUGXFKYDYDIHCY-SRTUKUCUSA-N
MW768.01 g/mol
LogP15.67
Rot. Bonds8

About 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine

9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 171452876) has the molecular formula C59H41N and a molecular weight of 768.01 g/mol. Its IUPAC name is 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
PubChem CID171452876
Molecular FormulaC59H41N
Molecular Weight768.01 g/mol
Exact Mass767.35
IUPAC Name9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C59H41N/c1-4-18-44(19-5-1)53-29-13-15-33-58(53)60(49-36-34-42(35-37-49)45-22-16-23-46(40-45)52-31-17-21-43-20-10-11-28-51(43)52)50-38-39-55-54-30-12-14-32-56(54)59(57(55)41-50,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-41H/i34D,35D,36D,37D
InChIKeyUUGXFKYDYDIHCY-SRTUKUCUSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.01
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452406
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321800
2,3,5,6-tetradeuterio-4-phenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 171452550
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451055
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 139469368
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-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167330061
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-yl-2-phenylphenyl)fluoren-2-amine
CID 155181598

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine (CID 171452876) is 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2ccccc2)c([2H])c([2H])c1-c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is UUGXFKYDYDIHCY-SRTUKUCUSA-N. The full InChI is InChI=1S/C59H41N/c1-4-18-44(19-5-1)53-29-13-15-33-58(53)60(49-36-34-42(35-37-49)45-22-16-23-46(40-45)52-31-17-21-43-20-10-11-28-51(43)52)50-38-39-55-54-30-12-14-32-56(54)59(57(55)41-50,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-41H/i34D,35D,36D,37D.
What are the key properties of 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine?
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 768.01 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171452876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).