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

C53H37N — CID 171451854

IUPAC9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1[2H]
InChIInChI=1S/C53H37N/c1-4-16-38(17-5-1)39-30-32-44(33-31-39)54(45-25-14-20-41(36-45)48-28-15-19-40-18-10-11-26-47(40)48)46-34-35-50-49-27-12-13-29-51(49)53(52(50)37-46,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H/i14D,20D,25D,36D
InChIKeyGHMSRPHBYLQGAR-AGWYWLIVSA-N
MW691.91 g/mol
LogP14.01
Rot. Bonds7

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

9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 171451854) has the molecular formula C53H37N and a molecular weight of 691.91 g/mol. Its IUPAC name is 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID171451854
Molecular FormulaC53H37N
Molecular Weight691.91 g/mol
Exact Mass691.32
IUPAC Name9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1[2H]
InChIInChI=1S/C53H37N/c1-4-16-38(17-5-1)39-30-32-44(33-31-39)54(45-25-14-20-41(36-45)48-28-15-19-40-18-10-11-26-47(40)48)46-34-35-50-49-27-12-13-29-51(49)53(52(50)37-46,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H/i14D,20D,25D,36D
InChIKeyGHMSRPHBYLQGAR-AGWYWLIVSA-N
XLogP14.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.91
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451470
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
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 168767093
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451632
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452264
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451876
2,3,4,6-tetradeuterio-5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]aniline
CID 171451292
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 153471240
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine (CID 171451854) is 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(-c2cccc3ccccc23)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1[2H].
What is the InChIKey of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is GHMSRPHBYLQGAR-AGWYWLIVSA-N. The full InChI is InChI=1S/C53H37N/c1-4-16-38(17-5-1)39-30-32-44(33-31-39)54(45-25-14-20-41(36-45)48-28-15-19-40-18-10-11-26-47(40)48)46-34-35-50-49-27-12-13-29-51(49)53(52(50)37-46,42-21-6-2-7-22-42)43-23-8-3-9-24-43/h1-37H/i14D,20D,25D,36D.
What are the key properties of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine?
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 691.91 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171451854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).