4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

C70H48N2S2 — CID 58161036

IUPAC4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)s7)cc6)c6ccc(-c7ccc(-c8ccccc8)s7)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C70H48N2S2/c1-6-16-49(17-7-1)50-26-37-62(38-27-50)72-64-43-34-58(48-63(64)69(56-22-12-4-13-23-56)70(72)57-24-14-5-15-25-57)51-28-35-59(36-29-51)71(60-39-30-54(31-40-60)67-46-44-65(73-67)52-18-8-2-9-19-52)61-41-32-55(33-42-61)68-47-45-66(74-68)53-20-10-3-11-21-53/h1-48H
InChIKeyBJCXUESBEWXXLY-UHFFFAOYSA-N
MW981.30 g/mol
LogP20.56
Rot. Bonds12

About 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (PubChem CID 58161036) has the molecular formula C70H48N2S2 and a molecular weight of 981.30 g/mol. Its IUPAC name is 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
PubChem CID58161036
Molecular FormulaC70H48N2S2
Molecular Weight981.30 g/mol
Exact Mass980.33
IUPAC Name4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)s7)cc6)c6ccc(-c7ccc(-c8ccccc8)s7)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C70H48N2S2/c1-6-16-49(17-7-1)50-26-37-62(38-27-50)72-64-43-34-58(48-63(64)69(56-22-12-4-13-23-56)70(72)57-24-14-5-15-25-57)51-28-35-59(36-29-51)71(60-39-30-54(31-40-60)67-46-44-65(73-67)52-18-8-2-9-19-52)61-41-32-55(33-42-61)68-47-45-66(74-68)53-20-10-3-11-21-53/h1-48H
InChIKeyBJCXUESBEWXXLY-UHFFFAOYSA-N
XLogP20.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.30
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 118402477
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281727
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58131714
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281754
4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline
CID 59184241
4-N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59184297
N-naphthalen-1-yl-N-[4-[5-[1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]-2,3-diphenylindol-5-yl]-2,3-diphenylindol-1-yl]phenyl]naphthalen-2-amine
CID 59184224

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (CID 58161036) is 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is c1ccc(-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc(-c5ccc(N(c6ccc(-c7ccc(-c8ccccc8)s7)cc6)c6ccc(-c7ccc(-c8ccccc8)s7)cc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The InChIKey is BJCXUESBEWXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2S2/c1-6-16-49(17-7-1)50-26-37-62(38-27-50)72-64-43-34-58(48-63(64)69(56-22-12-4-13-23-56)70(72)57-24-14-5-15-25-57)51-28-35-59(36-29-51)71(60-39-30-54(31-40-60)67-46-44-65(73-67)52-18-8-2-9-19-52)61-41-32-55(33-42-61)68-47-45-66(74-68)53-20-10-3-11-21-53/h1-48H.
What are the key properties of 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline has a molecular weight of 981.30 g/mol, XLogP of 20.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 58161036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).