N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H43NS — CID 90207073

IUPACN-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=C(c2ccccc2)C=C(c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)CC1c1ccccc1
InChIInChI=1S/C60H43NS/c1-4-12-42(13-5-1)45-20-22-46(23-21-45)47-24-31-54(32-25-47)61(55-33-26-48(27-34-55)50-30-37-60-58(41-50)57-18-10-11-19-59(57)62-60)56-35-28-49(29-36-56)53-39-51(43-14-6-2-7-15-43)38-52(40-53)44-16-8-3-9-17-44/h1-39,41,52H,40H2
InChIKeyGNBQRJLBSLCZPN-UHFFFAOYSA-N
MW810.08 g/mol
LogP17.18
Rot. Bonds9

About N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 90207073) has the molecular formula C60H43NS and a molecular weight of 810.08 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID90207073
Molecular FormulaC60H43NS
Molecular Weight810.08 g/mol
Exact Mass809.31
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC1=C(c2ccccc2)C=C(c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)CC1c1ccccc1
InChIInChI=1S/C60H43NS/c1-4-12-42(13-5-1)45-20-22-46(23-21-45)47-24-31-54(32-25-47)61(55-33-26-48(27-34-55)50-30-37-60-58(41-50)57-18-10-11-19-59(57)62-60)56-35-28-49(29-36-56)53-39-51(43-14-6-2-7-15-43)38-52(40-53)44-16-8-3-9-17-44/h1-39,41,52H,40H2
InChIKeyGNBQRJLBSLCZPN-UHFFFAOYSA-N
XLogP17.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.08
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-8-[3,5-di(dibenzothiophen-2-yl)cyclohexa-1,3-dien-1-yl]dibenzothiophene
CID 90291981
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
4-dibenzothiophen-2-yl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 123941148
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 90207073) is N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is C1=C(c2ccccc2)C=C(c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)CC1c1ccccc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is GNBQRJLBSLCZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NS/c1-4-12-42(13-5-1)45-20-22-46(23-21-45)47-24-31-54(32-25-47)61(55-33-26-48(27-34-55)50-30-37-60-58(41-50)57-18-10-11-19-59(57)62-60)56-35-28-49(29-36-56)53-39-51(43-14-6-2-7-15-43)38-52(40-53)44-16-8-3-9-17-44/h1-39,41,52H,40H2.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 810.08 g/mol, XLogP of 17.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 90207073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).