9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine

C51H33NS — CID 156687447

IUPAC9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C51H33NS/c1-2-18-38(19-3-1)52(48-26-12-17-35-15-6-7-20-40(35)48)39-30-31-46-44(33-39)41-21-8-10-24-45(41)51(46,37-29-28-34-14-4-5-16-36(34)32-37)47-25-13-23-43-42-22-9-11-27-49(42)53-50(43)47/h1-33H/i4D,5D,14D,16D,28D,29D,32D
InChIKeyFOPXEOCYPMVLEI-BJWVCFPXSA-N
MW698.94 g/mol
LogP14.19
Rot. Bonds5

About 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine

9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine (PubChem CID 156687447) has the molecular formula C51H33NS and a molecular weight of 698.94 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
PubChem CID156687447
Molecular FormulaC51H33NS
Molecular Weight698.94 g/mol
Exact Mass698.28
IUPAC Name9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C51H33NS/c1-2-18-38(19-3-1)52(48-26-12-17-35-15-6-7-20-40(35)48)39-30-31-46-44(33-39)41-21-8-10-24-45(41)51(46,37-29-28-34-14-4-5-16-36(34)32-37)47-25-13-23-43-42-22-9-11-27-49(42)53-50(43)47/h1-33H/i4D,5D,14D,16D,28D,29D,32D
InChIKeyFOPXEOCYPMVLEI-BJWVCFPXSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381
9-dibenzothiophen-1-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine
CID 156687280
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-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-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine
CID 156687394
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
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
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
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine?
The IUPAC name of 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) is 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine.
What is the SMILES notation for 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine?
The canonical SMILES for 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine is [2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine?
The InChIKey is FOPXEOCYPMVLEI-BJWVCFPXSA-N. The full InChI is InChI=1S/C51H33NS/c1-2-18-38(19-3-1)52(48-26-12-17-35-15-6-7-20-40(35)48)39-30-31-46-44(33-39)41-21-8-10-24-45(41)51(46,37-29-28-34-14-4-5-16-36(34)32-37)47-25-13-23-43-42-22-9-11-27-49(42)53-50(43)47/h1-33H/i4D,5D,14D,16D,28D,29D,32D.
What are the key properties of 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine?
9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine has a molecular weight of 698.94 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine is sourced from PubChem (CID 156687447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).