5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole

C70H42N6S — CID 88917525

IUPAC5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)n%10)c89)cc7c6c5)c34)n2)cc1
InChIInChI=1S/C70H42N6S/c1-3-17-43(18-4-1)55-25-15-31-65(71-55)75-60-30-14-10-24-52(60)68-62(75)38-36-49-47-21-7-11-27-57(47)74(69(49)68)46-34-40-64-54(42-46)53-41-45(33-39-63(53)77-64)73-59-29-13-9-23-51(59)67-61(73)37-35-50-48-22-8-12-28-58(48)76(70(50)67)66-32-16-26-56(72-66)44-19-5-2-6-20-44/h1-42H
InChIKeyWYKSUUPKGRDUMS-UHFFFAOYSA-N
MW999.22 g/mol
LogP18.57
Rot. Bonds6

About 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole

5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole (PubChem CID 88917525) has the molecular formula C70H42N6S and a molecular weight of 999.22 g/mol. Its IUPAC name is 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole
PubChem CID88917525
Molecular FormulaC70H42N6S
Molecular Weight999.22 g/mol
Exact Mass998.32
IUPAC Name5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)n%10)c89)cc7c6c5)c34)n2)cc1
InChIInChI=1S/C70H42N6S/c1-3-17-43(18-4-1)55-25-15-31-65(71-55)75-60-30-14-10-24-52(60)68-62(75)38-36-49-47-21-7-11-27-57(47)74(69(49)68)46-34-40-64-54(42-46)53-41-45(33-39-63(53)77-64)73-59-29-13-9-23-51(59)67-61(73)37-35-50-48-22-8-12-28-58(48)76(70(50)67)66-32-16-26-56(72-66)44-19-5-2-6-20-44/h1-42H
InChIKeyWYKSUUPKGRDUMS-UHFFFAOYSA-N
XLogP18.57
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.22
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole (CID 88917525) is 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)n%10)c89)cc7c6c5)c34)n2)cc1.
What is the InChIKey of 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The InChIKey is WYKSUUPKGRDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N6S/c1-3-17-43(18-4-1)55-25-15-31-65(71-55)75-60-30-14-10-24-52(60)68-62(75)38-36-49-47-21-7-11-27-57(47)74(69(49)68)46-34-40-64-54(42-46)53-41-45(33-39-63(53)77-64)73-59-29-13-9-23-51(59)67-61(73)37-35-50-48-22-8-12-28-58(48)76(70(50)67)66-32-16-26-56(72-66)44-19-5-2-6-20-44/h1-42H.
What are the key properties of 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole has a molecular weight of 999.22 g/mol, XLogP of 18.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenyl-2-pyridinyl)-12-[8-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]dibenzothiophen-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88917525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).