N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine

C37H25NS — CID 156683739

IUPACN-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Nc3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H25NS/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-24,38H/i7D,9D,16D,18D
InChIKeyDHCWCDBFBLJKDQ-LMAVZVLFSA-N
MW519.71 g/mol
LogP10.16
Rot. Bonds4

About N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine

N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine (PubChem CID 156683739) has the molecular formula C37H25NS and a molecular weight of 519.71 g/mol. Its IUPAC name is N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
PubChem CID156683739
Molecular FormulaC37H25NS
Molecular Weight519.71 g/mol
Exact Mass519.20
IUPAC NameN-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Nc3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H25NS/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-24,38H/i7D,9D,16D,18D
InChIKeyDHCWCDBFBLJKDQ-LMAVZVLFSA-N
XLogP10.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-1-amine
CID 177114042
N-(6,7,8,9-tetradeuteriodibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 156683727
N-phenyldibenzothiophen-1-amine
CID 126538366
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
CID 167036333
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-3-amine
CID 177113959
N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 158828181
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine (CID 156683739) is N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1ccc(Nc3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
The InChIKey is DHCWCDBFBLJKDQ-LMAVZVLFSA-N. The full InChI is InChI=1S/C37H25NS/c1-3-12-25(13-4-1)37(26-14-5-2-6-15-26)31-18-9-7-16-28(31)29-23-22-27(24-32(29)37)38-33-19-11-21-35-36(33)30-17-8-10-20-34(30)39-35/h1-24,38H/i7D,9D,16D,18D.
What are the key properties of N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine?
N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine has a molecular weight of 519.71 g/mol, XLogP of 10.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetradeuterio-9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 156683739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).