6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C108H60N12S3 — CID 139539201

IUPAC6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Sc2c(-c4ccc5c6cc7ccn(-c8nc9c%10c(cccc%10n8)Sc8cc(-c%10cc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%11c%10ccn%11-c%10ccc(-c%11nc%12c%13c(cccc%13n%11)Sc%11ccccc%11-%12)cc%10)ccc8-9)c7cc6n(-c6ccccc6)c5c4)cccc2-3)cc1
InChIInChI=1S/C108H60N12S3/c1-4-20-66(21-5-1)115-51-48-65-56-90-80(59-87(65)115)71-26-10-14-35-86(71)120(90)108-111-84-33-19-39-95-99(84)102(114-108)77-30-16-29-70(105(77)123-95)62-42-46-73-79-54-64-49-52-117(88(64)60-91(79)118(89(73)55-62)68-22-6-2-7-23-68)107-110-83-32-18-38-94-98(83)101(113-107)76-47-43-63(57-96(76)122-94)78-58-81-72-27-11-13-34-85(72)119(69-24-8-3-9-25-69)104(81)103-74(78)50-53-116(103)67-44-40-61(41-45-67)106-109-82-31-17-37-93-97(82)100(112-106)75-28-12-15-36-92(75)121-93/h1-60H
InChIKeyJTHPSDZCOFTLLK-UHFFFAOYSA-N
MW1621.95 g/mol
LogP28.03
Rot. Bonds9

About 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 139539201) has the molecular formula C108H60N12S3 and a molecular weight of 1621.95 g/mol. Its IUPAC name is 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID139539201
Molecular FormulaC108H60N12S3
Molecular Weight1621.95 g/mol
Exact Mass1620.42
IUPAC Name6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Sc2c(-c4ccc5c6cc7ccn(-c8nc9c%10c(cccc%10n8)Sc8cc(-c%10cc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%11c%10ccn%11-c%10ccc(-c%11nc%12c%13c(cccc%13n%11)Sc%11ccccc%11-%12)cc%10)ccc8-9)c7cc6n(-c6ccccc6)c5c4)cccc2-3)cc1
InChIInChI=1S/C108H60N12S3/c1-4-20-66(21-5-1)115-51-48-65-56-90-80(59-87(65)115)71-26-10-14-35-86(71)120(90)108-111-84-33-19-39-95-99(84)102(114-108)77-30-16-29-70(105(77)123-95)62-42-46-73-79-54-64-49-52-117(88(64)60-91(79)118(89(73)55-62)68-22-6-2-7-23-68)107-110-83-32-18-38-94-98(83)101(113-107)76-47-43-63(57-96(76)122-94)78-58-81-72-27-11-13-34-85(72)119(69-24-8-3-9-25-69)104(81)103-74(78)50-53-116(103)67-44-40-61(41-45-67)106-109-82-31-17-37-93-97(82)100(112-106)75-28-12-15-36-92(75)121-93/h1-60H
InChIKeyJTHPSDZCOFTLLK-UHFFFAOYSA-N
XLogP28.03
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.95
LogP ≤ 528.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 139539201) is 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Sc2c(-c4ccc5c6cc7ccn(-c8nc9c%10c(cccc%10n8)Sc8cc(-c%10cc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%11c%10ccn%11-c%10ccc(-c%11nc%12c%13c(cccc%13n%11)Sc%11ccccc%11-%12)cc%10)ccc8-9)c7cc6n(-c6ccccc6)c5c4)cccc2-3)cc1.
What is the InChIKey of 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is JTHPSDZCOFTLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H60N12S3/c1-4-20-66(21-5-1)115-51-48-65-56-90-80(59-87(65)115)71-26-10-14-35-86(71)120(90)108-111-84-33-19-39-95-99(84)102(114-108)77-30-16-29-70(105(77)123-95)62-42-46-73-79-54-64-49-52-117(88(64)60-91(79)118(89(73)55-62)68-22-6-2-7-23-68)107-110-83-32-18-38-94-98(83)101(113-107)76-47-43-63(57-96(76)122-94)78-58-81-72-27-11-13-34-85(72)119(69-24-8-3-9-25-69)104(81)103-74(78)50-53-116(103)67-44-40-61(41-45-67)106-109-82-31-17-37-93-97(82)100(112-106)75-28-12-15-36-92(75)121-93/h1-60H.
What are the key properties of 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 1621.95 g/mol, XLogP of 28.03, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-phenyl-1-[5-[10-phenyl-1-[4-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[2,3-a]carbazol-4-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-15-yl]pyrrolo[2,3-b]carbazol-7-yl]-15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 139539201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).