[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane

C70H65GeNS — CID 176724280

IUPAC[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc21
InChIInChI=1S/C70H65GeNS/c1-67(2)36-38-69(5,6)60-40-46(32-34-58(60)67)54-42-51(71(48-22-12-9-13-23-48,49-24-14-10-15-25-49)50-26-16-11-17-27-50)43-55(47-33-35-59-61(41-47)70(7,8)39-37-68(59,3)4)66(54)72-62-30-20-18-28-52(62)56-44-57-53-29-19-21-31-64(53)73-65(57)45-63(56)72/h9-35,40-45H,36-39H2,1-8H3
InChIKeyRSVFKWMFKZYRQN-UHFFFAOYSA-N
MW1024.97 g/mol
LogP16.56
Rot. Bonds7

About [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane

[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane (PubChem CID 176724280) has the molecular formula C70H65GeNS and a molecular weight of 1024.97 g/mol. Its IUPAC name is [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane.

Molecular Properties

Compound Name[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane
PubChem CID176724280
Molecular FormulaC70H65GeNS
Molecular Weight1024.97 g/mol
Exact Mass1025.40
IUPAC Name[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc21
InChIInChI=1S/C70H65GeNS/c1-67(2)36-38-69(5,6)60-40-46(32-34-58(60)67)54-42-51(71(48-22-12-9-13-23-48,49-24-14-10-15-25-49)50-26-16-11-17-27-50)43-55(47-33-35-59-61(41-47)70(7,8)39-37-68(59,3)4)66(54)72-62-30-20-18-28-52(62)56-44-57-53-29-19-21-31-64(53)73-65(57)45-63(56)72/h9-35,40-45H,36-39H2,1-8H3
InChIKeyRSVFKWMFKZYRQN-UHFFFAOYSA-N
XLogP16.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.97
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane with MolForge

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Related Compounds

3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967
7-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 146280998
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
CID 169030116
[3-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285407
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285321
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
28-(4-dibenzothiophen-3-ylphenyl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086594
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane?
The IUPAC name of [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane (CID 176724280) is [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane.
What is the SMILES notation for [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane?
The canonical SMILES for [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane is CC1(C)CCC(C)(C)c2cc(-c3cc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)ccc21.
What is the InChIKey of [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane?
The InChIKey is RSVFKWMFKZYRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H65GeNS/c1-67(2)36-38-69(5,6)60-40-46(32-34-58(60)67)54-42-51(71(48-22-12-9-13-23-48,49-24-14-10-15-25-49)50-26-16-11-17-27-50)43-55(47-33-35-59-61(41-47)70(7,8)39-37-68(59,3)4)66(54)72-62-30-20-18-28-52(62)56-44-57-53-29-19-21-31-64(53)73-65(57)45-63(56)72/h9-35,40-45H,36-39H2,1-8H3.
What are the key properties of [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane?
[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane has a molecular weight of 1024.97 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane is sourced from PubChem (CID 176724280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).