2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline

C55H43NS — CID 170140542

IUPAC2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC1(C)c2ccccc2-c2c(C3=C(N(C4=CC=C(c5cccc6ccccc56)CC4)c4ccccc4-c4ccc5sc6ccccc6c5c4)C=CCC3)cccc21
InChIInChI=1S/C55H43NS/c1-55(2)48-24-9-5-21-46(48)54-45(23-14-25-49(54)55)43-19-7-11-27-51(43)56(39-32-29-37(30-33-39)41-22-13-16-36-15-3-4-17-40(36)41)50-26-10-6-18-42(50)38-31-34-53-47(35-38)44-20-8-12-28-52(44)57-53/h3-6,8-18,20-29,31-32,34-35H,7,19,30,33H2,1-2H3
InChIKeyPEIROYQKGIYEMR-UHFFFAOYSA-N
MW750.02 g/mol
LogP15.51
Rot. Bonds6

About 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline

2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 170140542) has the molecular formula C55H43NS and a molecular weight of 750.02 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID170140542
Molecular FormulaC55H43NS
Molecular Weight750.02 g/mol
Exact Mass749.31
IUPAC Name2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC1(C)c2ccccc2-c2c(C3=C(N(C4=CC=C(c5cccc6ccccc56)CC4)c4ccccc4-c4ccc5sc6ccccc6c5c4)C=CCC3)cccc21
InChIInChI=1S/C55H43NS/c1-55(2)48-24-9-5-21-46(48)54-45(23-14-25-49(54)55)43-19-7-11-27-51(43)56(39-32-29-37(30-33-39)41-22-13-16-36-15-3-4-17-40(36)41)50-26-10-6-18-42(50)38-31-34-53-47(35-38)44-20-8-12-28-52(44)57-53/h3-6,8-18,20-29,31-32,34-35H,7,19,30,33H2,1-2H3
InChIKeyPEIROYQKGIYEMR-UHFFFAOYSA-N
XLogP15.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.02
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline with MolForge

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Related Compounds

N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
N-(4-dibenzothiophen-4-ylcyclohexa-1,3-dien-1-yl)-N-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 163969255
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 172544754
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
CID 170135024
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043087
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
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-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline (CID 170140542) is 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline is CC1(C)c2ccccc2-c2c(C3=C(N(C4=CC=C(c5cccc6ccccc56)CC4)c4ccccc4-c4ccc5sc6ccccc6c5c4)C=CCC3)cccc21.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is PEIROYQKGIYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43NS/c1-55(2)48-24-9-5-21-46(48)54-45(23-14-25-49(54)55)43-19-7-11-27-51(43)56(39-32-29-37(30-33-39)41-22-13-16-36-15-3-4-17-40(36)41)50-26-10-6-18-42(50)38-31-34-53-47(35-38)44-20-8-12-28-52(44)57-53/h3-6,8-18,20-29,31-32,34-35H,7,19,30,33H2,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline?
2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 750.02 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[2-(9,9-dimethylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]-N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 170140542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).