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

C172H116N4S4 — CID 160793989

IUPAC9-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
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/4C43H29NS/c1-4-15-30(16-5-1)43(40-25-14-23-36-35-22-11-13-26-41(35)45-42(36)40)38-24-12-10-21-34(38)37-29-33(27-28-39(37)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(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/h4*1-29H/i2*1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D
InChIKeySCEQUHJLXVUDRK-LTUJPSHQSA-N
MW2387.24 g/mol
LogP47.55
Rot. Bonds20

About 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

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 (PubChem CID 160793989) has the molecular formula C172H116N4S4 and a molecular weight of 2387.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID160793989
Molecular FormulaC172H116N4S4
Molecular Weight2387.24 g/mol
Exact Mass2384.93
IUPAC Name9-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
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/4C43H29NS/c1-4-15-30(16-5-1)43(40-25-14-23-36-35-22-11-13-26-41(35)45-42(36)40)38-24-12-10-21-34(38)37-29-33(27-28-39(37)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(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/h4*1-29H/i2*1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D
InChIKeySCEQUHJLXVUDRK-LTUJPSHQSA-N
XLogP47.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002387.24
LogP ≤ 547.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 156687450
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-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
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381
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-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-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine
CID 160591525
N-phenyl-3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]-N-(4-phenylphenyl)aniline
CID 163737565
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is SCEQUHJLXVUDRK-LTUJPSHQSA-N. The full InChI is InChI=1S/4C43H29NS/c1-4-15-30(16-5-1)43(40-25-14-23-36-35-22-11-13-26-41(35)45-42(36)40)38-24-12-10-21-34(38)37-29-33(27-28-39(37)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-15-30(16-5-1)43(39-24-14-26-41-42(39)35-22-11-13-25-40(35)45-41)37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)44(31-17-6-2-7-18-31)32-19-8-3-9-20-32;1-4-14-30(15-5-1)43(31-24-27-42-38(28-31)36-21-11-13-23-41(36)45-42)39-22-12-10-20-35(39)37-29-34(25-26-40(37)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(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/h4*1-29H/i2*1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D.
What are the key properties of 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?
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 has a molecular weight of 2387.24 g/mol, XLogP of 47.55, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).