N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C60H47NS — CID 156827482

IUPACN-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(C3=CC=C(c4ccc5c(c4)sc4ccccc45)CC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C60H47NS/c1-59(2)53-22-12-8-18-46(53)51-35-40(28-34-54(51)59)43-15-5-6-16-44(43)48-19-9-13-23-56(48)61(42-31-33-47-45-17-7-11-21-52(45)60(3,4)55(47)37-42)41-29-25-38(26-30-41)39-27-32-50-49-20-10-14-24-57(49)62-58(50)36-39/h5-25,27-29,31-37H,26,30H2,1-4H3
InChIKeyQUJIKJZPBWFJDE-UHFFFAOYSA-N
MW814.11 g/mol
LogP16.90
Rot. Bonds6

About N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 156827482) has the molecular formula C60H47NS and a molecular weight of 814.11 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID156827482
Molecular FormulaC60H47NS
Molecular Weight814.11 g/mol
Exact Mass813.34
IUPAC NameN-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(C3=CC=C(c4ccc5c(c4)sc4ccccc45)CC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C60H47NS/c1-59(2)53-22-12-8-18-46(53)51-35-40(28-34-54(51)59)43-15-5-6-16-44(43)48-19-9-13-23-56(48)61(42-31-33-47-45-17-7-11-21-52(45)60(3,4)55(47)37-42)41-29-25-38(26-30-41)39-27-32-50-49-20-10-14-24-57(49)62-58(50)36-39/h5-25,27-29,31-37H,26,30H2,1-4H3
InChIKeyQUJIKJZPBWFJDE-UHFFFAOYSA-N
XLogP16.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.11
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-9-ylcyclohexa-1,3-dien-1-yl)dibenzothiophen-3-amine
CID 170044099
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839696
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-(3,4-diphenylphenyl)triphenylen-2-amine
CID 177294573
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463495
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 156827482) is N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3N(C3=CC=C(c4ccc5c(c4)sc4ccccc45)CC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is QUJIKJZPBWFJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NS/c1-59(2)53-22-12-8-18-46(53)51-35-40(28-34-54(51)59)43-15-5-6-16-44(43)48-19-9-13-23-56(48)61(42-31-33-47-45-17-7-11-21-52(45)60(3,4)55(47)37-42)41-29-25-38(26-30-41)39-27-32-50-49-20-10-14-24-57(49)62-58(50)36-39/h5-25,27-29,31-37H,26,30H2,1-4H3.
What are the key properties of N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 814.11 g/mol, XLogP of 16.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 156827482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).