9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine

C47H31NS — CID 156687381

IUPAC9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc32)c([2H])c1[2H]
InChIInChI=1S/C47H31NS/c1-3-16-33(17-4-1)47(34-26-29-46-41(30-34)39-22-10-12-25-45(39)49-46)42-23-11-9-21-38(42)40-31-36(27-28-43(40)47)48(35-18-5-2-6-19-35)44-24-13-15-32-14-7-8-20-37(32)44/h1-31H/i1D,3D,4D,16D,17D
InChIKeyJUIHMGYJVSPACM-DQWZHVRJSA-N
MW646.87 g/mol
LogP13.04
Rot. Bonds5

About 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine

9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine (PubChem CID 156687381) has the molecular formula C47H31NS and a molecular weight of 646.87 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
PubChem CID156687381
Molecular FormulaC47H31NS
Molecular Weight646.87 g/mol
Exact Mass646.25
IUPAC Name9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc32)c([2H])c1[2H]
InChIInChI=1S/C47H31NS/c1-3-16-33(17-4-1)47(34-26-29-46-41(30-34)39-22-10-12-25-45(39)49-46)42-23-11-9-21-38(42)40-31-36(27-28-43(40)47)48(35-18-5-2-6-19-35)44-24-13-15-32-14-7-8-20-37(32)44/h1-31H/i1D,3D,4D,16D,17D
InChIKeyJUIHMGYJVSPACM-DQWZHVRJSA-N
XLogP13.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.87
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-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
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 156687450
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-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 156687400
9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 156687447
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
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
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 159062031

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine (CID 156687381) is 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine is [2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine?
The InChIKey is JUIHMGYJVSPACM-DQWZHVRJSA-N. The full InChI is InChI=1S/C47H31NS/c1-3-16-33(17-4-1)47(34-26-29-46-41(30-34)39-22-10-12-25-45(39)49-46)42-23-11-9-21-38(42)40-31-36(27-28-43(40)47)48(35-18-5-2-6-19-35)44-24-13-15-32-14-7-8-20-37(32)44/h1-31H/i1D,3D,4D,16D,17D.
What are the key properties of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine?
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine has a molecular weight of 646.87 g/mol, XLogP of 13.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine is sourced from PubChem (CID 156687381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).