9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine

C54H37NS — CID 168767521

IUPAC9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2ccc3sc4ccccc4c3c2)c([2H])c(N(c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c1[2H]
InChIInChI=1S/C54H37NS/c1-54(40-16-3-2-4-17-40)50-23-9-7-20-46(50)47-31-30-43(35-51(47)54)55(41-28-25-37(26-29-41)45-22-12-14-36-13-5-6-19-44(36)45)42-18-11-15-38(33-42)39-27-32-53-49(34-39)48-21-8-10-24-52(48)56-53/h2-35H,1H3/i11D,15D,18D,25D,26D,28D,29D,33D
InChIKeyAUSPRTISWVOSHY-BBBGZGPTSA-N
MW740.01 g/mol
LogP15.35
Rot. Bonds6

About 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine

9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 168767521) has the molecular formula C54H37NS and a molecular weight of 740.01 g/mol. Its IUPAC name is 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID168767521
Molecular FormulaC54H37NS
Molecular Weight740.01 g/mol
Exact Mass739.31
IUPAC Name9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(-c2ccc3sc4ccccc4c3c2)c([2H])c(N(c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c1[2H]
InChIInChI=1S/C54H37NS/c1-54(40-16-3-2-4-17-40)50-23-9-7-20-46(50)47-31-30-43(35-51(47)54)55(41-28-25-37(26-29-41)45-22-12-14-36-13-5-6-19-44(36)45)42-18-11-15-38(33-42)39-27-32-53-49(34-39)48-21-8-10-24-52(48)56-53/h2-35H,1H3/i11D,15D,18D,25D,26D,28D,29D,33D
InChIKeyAUSPRTISWVOSHY-BBBGZGPTSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.01
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
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
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
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
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218562
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 171452575
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766674
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171452358
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451854
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451823
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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine (CID 168767521) is 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(-c2ccc3sc4ccccc4c3c2)c([2H])c(N(c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)c2c([2H])c([2H])c(-c3cccc4ccccc34)c([2H])c2[2H])c1[2H].
What is the InChIKey of 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is AUSPRTISWVOSHY-BBBGZGPTSA-N. The full InChI is InChI=1S/C54H37NS/c1-54(40-16-3-2-4-17-40)50-23-9-7-20-46(50)47-31-30-43(35-51(47)54)55(41-28-25-37(26-29-41)45-22-12-14-36-13-5-6-19-44(36)45)42-18-11-15-38(33-42)39-27-32-53-49(34-39)48-21-8-10-24-52(48)56-53/h2-35H,1H3/i11D,15D,18D,25D,26D,28D,29D,33D.
What are the key properties of 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine?
9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 740.01 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-N-(2,3,4,6-tetradeuterio-5-dibenzothiophen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 168767521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).