7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole

C117H61N9S6 — CID 126648206

IUPAC7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-n5c7ccccc7c7cc8c(cc75)sc5ccccc58)nc4-n4c5ccccc5c5cc7c(cc54)sc4ccccc47)sc4ccccc46)cc3c3cc4c(cc32)sc2ccccc24)c(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)nn1
InChIInChI=1S/C117H61N9S6/c1-11-31-88-64(21-1)76-49-82-68-25-5-15-35-102(68)129-110(82)57-97(76)123(88)114-46-45-94(116(118-114)125-90-33-13-3-23-66(90)78-51-84-70-27-7-17-37-104(70)131-112(84)59-99(78)125)121-92-43-41-62(47-74(92)80-53-86-72-29-9-19-39-106(72)127-108(86)55-95(80)121)63-42-44-93-75(48-63)81-54-87-73-30-10-20-40-107(73)128-109(87)56-96(81)122(93)101-61-115(124-89-32-12-2-22-65(89)77-50-83-69-26-6-16-36-103(69)130-111(83)58-98(77)124)119-120-117(101)126-91-34-14-4-24-67(91)79-52-85-71-28-8-18-38-105(71)132-113(85)60-100(79)126/h1-61H
InChIKeyJZXQKONPLNSSBI-UHFFFAOYSA-N
MW1785.24 g/mol
LogP34.33
Rot. Bonds7

About 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole

7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 126648206) has the molecular formula C117H61N9S6 and a molecular weight of 1785.24 g/mol. Its IUPAC name is 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID126648206
Molecular FormulaC117H61N9S6
Molecular Weight1785.24 g/mol
Exact Mass1783.34
IUPAC Name7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-n5c7ccccc7c7cc8c(cc75)sc5ccccc58)nc4-n4c5ccccc5c5cc7c(cc54)sc4ccccc47)sc4ccccc46)cc3c3cc4c(cc32)sc2ccccc24)c(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)nn1
InChIInChI=1S/C117H61N9S6/c1-11-31-88-64(21-1)76-49-82-68-25-5-15-35-102(68)129-110(82)57-97(76)123(88)114-46-45-94(116(118-114)125-90-33-13-3-23-66(90)78-51-84-70-27-7-17-37-104(70)131-112(84)59-99(78)125)121-92-43-41-62(47-74(92)80-53-86-72-29-9-19-39-106(72)127-108(86)55-95(80)121)63-42-44-93-75(48-63)81-54-87-73-30-10-20-40-107(73)128-109(87)56-96(81)122(93)101-61-115(124-89-32-12-2-22-65(89)77-50-83-69-26-6-16-36-103(69)130-111(83)58-98(77)124)119-120-117(101)126-91-34-14-4-24-67(91)79-52-85-71-28-8-18-38-105(71)132-113(85)60-100(79)126/h1-61H
InChIKeyJZXQKONPLNSSBI-UHFFFAOYSA-N
XLogP34.33
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.24
LogP ≤ 534.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

7-[3,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
CID 126652530
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
10-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 171730090
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
CID 118503125
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole (CID 126648206) is 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole is c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-n5c7ccccc7c7cc8c(cc75)sc5ccccc58)nc4-n4c5ccccc5c5cc7c(cc54)sc4ccccc47)sc4ccccc46)cc3c3cc4c(cc32)sc2ccccc24)c(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)nn1.
What is the InChIKey of 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is JZXQKONPLNSSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H61N9S6/c1-11-31-88-64(21-1)76-49-82-68-25-5-15-35-102(68)129-110(82)57-97(76)123(88)114-46-45-94(116(118-114)125-90-33-13-3-23-66(90)78-51-84-70-27-7-17-37-104(70)131-112(84)59-99(78)125)121-92-43-41-62(47-74(92)80-53-86-72-29-9-19-39-106(72)127-108(86)55-95(80)121)63-42-44-93-75(48-63)81-54-87-73-30-10-20-40-107(73)128-109(87)56-96(81)122(93)101-61-115(124-89-32-12-2-22-65(89)77-50-83-69-26-6-16-36-103(69)130-111(83)58-98(77)124)119-120-117(101)126-91-34-14-4-24-67(91)79-52-85-71-28-8-18-38-105(71)132-113(85)60-100(79)126/h1-61H.
What are the key properties of 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole?
7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1785.24 g/mol, XLogP of 34.33, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzothiolo[2,3-b]carbazol-10-yl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 126648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).