9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine

C43H29NS — CID 156687450

IUPAC9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H/i1D,4D,5D,14D,15D
InChIKeyNWUDRHQHUYGXLO-KMIUACPRSA-N
MW596.81 g/mol
LogP11.89
Rot. Bonds5

About 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine

9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine (PubChem CID 156687450) has the molecular formula C43H29NS and a molecular weight of 596.81 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
PubChem CID156687450
Molecular FormulaC43H29NS
Molecular Weight596.81 g/mol
Exact Mass596.23
IUPAC Name9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H/i1D,4D,5D,14D,15D
InChIKeyNWUDRHQHUYGXLO-KMIUACPRSA-N
XLogP11.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.81
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-dibenzothiophen-3-yl-3-N'-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N'-diphenyl-9,9'-spirobi[fluorene]-3,3'-diamine
CID 168791648
9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 160793989
9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 160689897
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 162004042
9-dibenzothiophen-2-yl-3-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenylfluorene-3,6-diamine
CID 156687603
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
2-N'-dibenzothiophen-3-yl-2-N'-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791324
9-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenylfluorene-3,6-diamine
CID 156687367
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine?
The IUPAC name of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine (CID 156687450) is 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine.
What is the SMILES notation for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine?
The canonical SMILES for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine?
The InChIKey is NWUDRHQHUYGXLO-KMIUACPRSA-N. The full InChI is InChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-37-36-21-11-13-23-41(36)45-42(37)28-31)39-22-12-10-20-35(39)38-29-34(25-27-40(38)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H/i1D,4D,5D,14D,15D.
What are the key properties of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine?
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine has a molecular weight of 596.81 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine is sourced from PubChem (CID 156687450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).