6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

C110H63N11S2 — CID 126699415

About 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (PubChem CID 126699415) has the molecular formula C110H63N11S2 and a molecular weight of 1602.92 g/mol. Its IUPAC name is 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

Molecular Properties

• Compound Name: 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
• PubChem CID: 126699415
• Molecular Formula: C110H63N11S2
• Molecular Weight: 1602.92 g/mol
• Exact Mass: 1601.47
• IUPAC Name: 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nccc%11c%10sc%10ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%10%11)cc9)nc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%109)n8)cc7)cc6sc5c5ccccc5c43)nc3ccccc23)cc1
• InChI: InChI=1S/C110H63N11S2/c1-3-23-66(24-4-1)100-83-34-9-16-36-88(83)112-109(113-100)120-94-42-22-15-35-84(94)98-99-85-54-51-70(62-97(85)123-104(99)81-33-8-7-32-78(81)101(98)120)65-45-49-68(50-46-65)107-114-106(115-110(116-107)121-93-41-21-13-30-76(93)80-56-55-79-75-29-12-19-39-91(75)118(102(79)103(80)121)71-25-5-2-6-26-71)67-47-43-64(44-48-67)69-52-57-95-86(61-69)77-31-14-20-40-92(77)119(95)108-105-82(59-60-111-108)87-63-72(53-58-96(87)122-105)117-89-37-17-10-27-73(89)74-28-11-18-38-90(74)117/h1-63H
• InChIKey: LXOZRQYMCXCJLK-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 101.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1602.92
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?

The IUPAC name of 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (CID 126699415) is 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

What is the SMILES notation for 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?

The canonical SMILES for 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nccc%11c%10sc%10ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%10%11)cc9)nc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%109)n8)cc7)cc6sc5c5ccccc5c43)nc3ccccc23)cc1.

What is the InChIKey of 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?

The InChIKey is LXOZRQYMCXCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H63N11S2/c1-3-23-66(24-4-1)100-83-34-9-16-36-88(83)112-109(113-100)120-94-42-22-15-35-84(94)98-99-85-54-51-70(62-97(85)123-104(99)81-33-8-7-32-78(81)101(98)120)65-45-49-68(50-46-65)107-114-106(115-110(116-107)121-93-41-21-13-30-76(93)80-56-55-79-75-29-12-19-39-91(75)118(102(79)103(80)121)71-25-5-2-6-26-71)67-47-43-64(44-48-67)69-52-57-95-86(61-69)77-31-14-20-40-92(77)119(95)108-105-82(59-60-111-108)87-63-72(53-58-96(87)122-105)117-89-37-17-10-27-73(89)74-28-11-18-38-90(74)117/h1-63H.

What are the key properties of 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?

6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene has a molecular weight of 1602.92 g/mol, XLogP of 28.92, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[4-[9-(6-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 126699415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).