triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane

C60H42N2S — CID 171458330

IUPACtriphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccc(S(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4c3)c2)cc1
InChIInChI=1S/C60H42N2S/c1-5-19-43(20-6-1)44-21-17-22-45(41-44)52-31-18-34-58-60(52)55-30-14-16-33-57(55)62(58)47-37-40-54-53-29-13-15-32-56(53)61(59(54)42-47)46-35-38-51(39-36-46)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyMUXOTSJQYRWFLP-UHFFFAOYSA-N
MW823.08 g/mol
LogP16.56
Rot. Bonds8

About triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane

triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane (PubChem CID 171458330) has the molecular formula C60H42N2S and a molecular weight of 823.08 g/mol. Its IUPAC name is triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
PubChem CID171458330
Molecular FormulaC60H42N2S
Molecular Weight823.08 g/mol
Exact Mass822.31
IUPAC Nametriphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccc(S(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4c3)c2)cc1
InChIInChI=1S/C60H42N2S/c1-5-19-43(20-6-1)44-21-17-22-45(41-44)52-31-18-34-58-60(52)55-30-14-16-33-57(55)62(58)47-37-40-54-53-29-13-15-32-56(53)61(59(54)42-47)46-35-38-51(39-36-46)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyMUXOTSJQYRWFLP-UHFFFAOYSA-N
XLogP16.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.08
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458280
triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
CID 171458592
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane?
The IUPAC name of triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane (CID 171458330) is triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane?
The canonical SMILES for triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane is c1ccc(-c2cccc(-c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccc(S(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4c3)c2)cc1.
What is the InChIKey of triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane?
The InChIKey is MUXOTSJQYRWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2S/c1-5-19-43(20-6-1)44-21-17-22-45(41-44)52-31-18-34-58-60(52)55-30-14-16-33-57(55)62(58)47-37-40-54-53-29-13-15-32-56(53)61(59(54)42-47)46-35-38-51(39-36-46)63(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H.
What are the key properties of triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane?
triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane has a molecular weight of 823.08 g/mol, XLogP of 16.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane is sourced from PubChem (CID 171458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).