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

C110H74N2S2 — CID 163737565

IUPACN-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c45)c3)cc2)cc1
InChIInChI=1S/2C55H37NS/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-27-49-50-37-42(32-35-53(50)57-54(46)49)55(41-19-6-2-7-20-41)51-28-12-10-24-47(51)48-25-11-13-29-52(48)55;1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-29-52-54(46)49-35-32-42(37-53(49)57-52)55(41-19-6-2-7-20-41)50-27-12-10-24-47(50)48-25-11-13-28-51(48)55/h2*1-37H
InChIKeyLEXZWMPRMGIGKU-UHFFFAOYSA-N
MW1487.95 g/mol
LogP30.44
Rot. Bonds14

About 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

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 (PubChem CID 163737565) has the molecular formula C110H74N2S2 and a molecular weight of 1487.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID163737565
Molecular FormulaC110H74N2S2
Molecular Weight1487.95 g/mol
Exact Mass1486.53
IUPAC NameN-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c45)c3)cc2)cc1
InChIInChI=1S/2C55H37NS/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-27-49-50-37-42(32-35-53(50)57-54(46)49)55(41-19-6-2-7-20-41)51-28-12-10-24-47(51)48-25-11-13-29-52(48)55;1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-29-52-54(46)49-35-32-42(37-53(49)57-52)55(41-19-6-2-7-20-41)50-27-12-10-24-47(50)48-25-11-13-28-51(48)55/h2*1-37H
InChIKeyLEXZWMPRMGIGKU-UHFFFAOYSA-N
XLogP30.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.95
LogP ≤ 530.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839391
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 163549331
N-dibenzothiophen-4-yl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 163497598
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163508412
N-phenyl-2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163581266
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4sc4ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c45)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is LEXZWMPRMGIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H37NS/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-27-49-50-37-42(32-35-53(50)57-54(46)49)55(41-19-6-2-7-20-41)51-28-12-10-24-47(51)48-25-11-13-29-52(48)55;1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)46-26-15-29-52-54(46)49-35-32-42(37-53(49)57-52)55(41-19-6-2-7-20-41)50-27-12-10-24-47(50)48-25-11-13-28-51(48)55/h2*1-37H.
What are the key properties of 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?
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 has a molecular weight of 1487.95 g/mol, XLogP of 30.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163737565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).