4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C67H48N2S — CID 144995074

IUPAC4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESC1=Cc2c(n(-c3cccc(C4C=CC(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)=CC4)c3)c3ccccc23)CC1
InChIInChI=1S/C67H48N2S/c1-2-17-48(18-3-1)67(61-27-9-4-20-55(61)56-21-5-10-28-62(56)67)49-36-42-52(43-37-49)68(51-40-34-46(35-41-51)54-25-15-26-60-59-24-8-13-31-65(59)70-66(54)60)50-38-32-45(33-39-50)47-16-14-19-53(44-47)69-63-29-11-6-22-57(63)58-23-7-12-30-64(58)69/h1-11,13-29,31-32,34-45H,12,30,33H2
InChIKeyHIZMHXUTKFYFFA-UHFFFAOYSA-N
MW913.20 g/mol
LogP17.75
Rot. Bonds8

About 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 144995074) has the molecular formula C67H48N2S and a molecular weight of 913.20 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID144995074
Molecular FormulaC67H48N2S
Molecular Weight913.20 g/mol
Exact Mass912.35
IUPAC Name4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESC1=Cc2c(n(-c3cccc(C4C=CC(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)=CC4)c3)c3ccccc23)CC1
InChIInChI=1S/C67H48N2S/c1-2-17-48(18-3-1)67(61-27-9-4-20-55(61)56-21-5-10-28-62(56)67)49-36-42-52(43-37-49)68(51-40-34-46(35-41-51)54-25-15-26-60-59-24-8-13-31-65(59)70-66(54)60)50-38-32-45(33-39-50)47-16-14-19-53(44-47)69-63-29-11-6-22-57(63)58-23-7-12-30-64(58)69/h1-11,13-29,31-32,34-45H,12,30,33H2
InChIKeyHIZMHXUTKFYFFA-UHFFFAOYSA-N
XLogP17.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.20
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424239
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121653
N-(4-dibenzothiophen-4-ylphenyl)-4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N-phenylaniline
CID 89492150
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 144995074) is 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is C1=Cc2c(n(-c3cccc(C4C=CC(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)=CC4)c3)c3ccccc23)CC1.
What is the InChIKey of 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is HIZMHXUTKFYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2S/c1-2-17-48(18-3-1)67(61-27-9-4-20-55(61)56-21-5-10-28-62(56)67)49-36-42-52(43-37-49)68(51-40-34-46(35-41-51)54-25-15-26-60-59-24-8-13-31-65(59)70-66(54)60)50-38-32-45(33-39-50)47-16-14-19-53(44-47)69-63-29-11-6-22-57(63)58-23-7-12-30-64(58)69/h1-11,13-29,31-32,34-45H,12,30,33H2.
What are the key properties of 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 913.20 g/mol, XLogP of 17.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 144995074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).