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

C196H132N4S4 — CID 160689897

IUPAC9-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
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/4C49H33NS/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-45-43(33-39)40-21-10-12-24-44(40)49(45,36-17-6-2-7-18-36)46-25-14-23-42-41-22-11-13-26-47(41)51-48(42)46;1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-44-42(33-39)40-21-10-12-23-43(40)49(44,36-17-6-2-7-18-36)45-24-14-26-47-48(45)41-22-11-13-25-46(41)51-47;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-30-46-43(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-31-48-44(32-37)42-21-11-13-23-47(42)51-48;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-46-44(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-30-43-42-21-11-13-23-47(42)51-48(43)32-37/h4*1-33H/i2*2D,6D,7D,17D,18D;2*2D,6D,7D,16D,17D
InChIKeyRPGOWGWFCDPOCU-JCDKCDFPSA-N
MW2691.63 g/mol
LogP54.22
Rot. Bonds24

About 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

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 (PubChem CID 160689897) has the molecular formula C196H132N4S4 and a molecular weight of 2691.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID160689897
Molecular FormulaC196H132N4S4
Molecular Weight2691.63 g/mol
Exact Mass2689.06
IUPAC Name9-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
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/4C49H33NS/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-45-43(33-39)40-21-10-12-24-44(40)49(45,36-17-6-2-7-18-36)46-25-14-23-42-41-22-11-13-26-47(41)51-48(42)46;1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-44-42(33-39)40-21-10-12-23-43(40)49(44,36-17-6-2-7-18-36)45-24-14-26-47-48(45)41-22-11-13-25-46(41)51-47;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-30-46-43(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-31-48-44(32-37)42-21-11-13-23-47(42)51-48;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-46-44(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-30-43-42-21-11-13-23-47(42)51-48(43)32-37/h4*1-33H/i2*2D,6D,7D,17D,18D;2*2D,6D,7D,16D,17D
InChIKeyRPGOWGWFCDPOCU-JCDKCDFPSA-N
XLogP54.22
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002691.63
LogP ≤ 554.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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-(2,3,4,5,6,7,8-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-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenylfluoren-3-amine
CID 156687450
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
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-3-amine
CID 156687381
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
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
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is RPGOWGWFCDPOCU-JCDKCDFPSA-N. The full InChI is InChI=1S/4C49H33NS/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-45-43(33-39)40-21-10-12-24-44(40)49(45,36-17-6-2-7-18-36)46-25-14-23-42-41-22-11-13-26-47(41)51-48(42)46;1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-44-42(33-39)40-21-10-12-23-43(40)49(44,36-17-6-2-7-18-36)45-24-14-26-47-48(45)41-22-11-13-25-46(41)51-47;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-30-46-43(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-31-48-44(32-37)42-21-11-13-23-47(42)51-48;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-46-44(33-40)41-20-10-12-22-45(41)49(46,36-16-6-2-7-17-36)37-26-30-43-42-21-11-13-23-47(42)51-48(43)32-37/h4*1-33H/i2*2D,6D,7D,17D,18D;2*2D,6D,7D,16D,17D.
What are the key properties of 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?
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 has a molecular weight of 2691.63 g/mol, XLogP of 54.22, 24 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-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 is sourced from PubChem (CID 160689897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).