4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

C60H41FN2S — CID 169073621

IUPAC4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)c1
InChIInChI=1S/C60H41FN2S/c61-47-29-36-58-56(39-47)53-17-4-6-21-57(53)63(58)51-16-9-14-45(38-51)43-27-34-50(35-28-43)62(48-30-23-41(24-31-48)40-11-2-1-3-12-40)49-32-25-42(26-33-49)44-13-8-15-46(37-44)52-19-10-20-55-54-18-5-7-22-59(54)64-60(52)55/h1-23,25-30,32-39H,24,31H2
InChIKeyXRARSEOEMKGHFE-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.19
Rot. Bonds8

About 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 169073621) has the molecular formula C60H41FN2S and a molecular weight of 841.07 g/mol. Its IUPAC name is 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID169073621
Molecular FormulaC60H41FN2S
Molecular Weight841.07 g/mol
Exact Mass840.30
IUPAC Name4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)c1
InChIInChI=1S/C60H41FN2S/c61-47-29-36-58-56(39-47)53-17-4-6-21-57(53)63(58)51-16-9-14-45(38-51)43-27-34-50(35-28-43)62(48-30-23-41(24-31-48)40-11-2-1-3-12-40)49-32-25-42(26-33-49)44-13-8-15-46(37-44)52-19-10-20-55-54-18-5-7-22-59(54)64-60(52)55/h1-23,25-30,32-39H,24,31H2
InChIKeyXRARSEOEMKGHFE-UHFFFAOYSA-N
XLogP17.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 169073570
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (CID 169073621) is 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is Fc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)cc2)c1.
What is the InChIKey of 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is XRARSEOEMKGHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41FN2S/c61-47-29-36-58-56(39-47)53-17-4-6-21-57(53)63(58)51-16-9-14-45(38-51)43-27-34-50(35-28-43)62(48-30-23-41(24-31-48)40-11-2-1-3-12-40)49-32-25-42(26-33-49)44-13-8-15-46(37-44)52-19-10-20-55-54-18-5-7-22-59(54)64-60(52)55/h1-23,25-30,32-39H,24,31H2.
What are the key properties of 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 841.07 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 169073621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).