3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C110H68N10O — CID 134352675

About 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 134352675) has the molecular formula C110H68N10O and a molecular weight of 1545.82 g/mol. Its IUPAC name is 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 134352675
• Molecular Formula: C110H68N10O
• Molecular Weight: 1545.82 g/mol
• Exact Mass: 1544.56
• IUPAC Name: 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
• SMILES: C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3ccccc3)C2C=C1c1ccc2c(c1)c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1cccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c8c9c%10ccccc%10n(-c%10ccccn%10)c9ccc8n(-c8ccco8)c7c6)cc5n(-c5ccccc5)c4c32)n1
• InChI: InChI=1S/C110H68N10O/c1-5-25-71(26-6-1)113-95-58-56-79-75-33-13-17-37-88(75)114(72-27-7-2-8-28-72)106(79)105(95)86-51-47-68(65-97(86)113)67-48-57-92-87(63-67)83-55-54-80-76-34-14-18-38-89(76)115(73-29-9-3-10-30-73)107(80)110(83)120(92)101-43-23-42-100(112-101)119-90-39-19-15-35-77(90)81-52-53-82-78-49-45-69(64-96(78)116(108(82)109(81)119)74-31-11-4-12-32-74)70-46-50-85-98(66-70)118(102-44-24-62-121-102)94-60-59-93-103(104(85)94)84-36-16-20-40-91(84)117(93)99-41-21-22-61-111-99/h1-66,86,97H
• InChIKey: HQMTYUTUKKZJMI-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 76.67 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1545.82
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 134352675) is 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3ccccc3)C2C=C1c1ccc2c(c1)c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1cccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c8c9c%10ccccc%10n(-c%10ccccn%10)c9ccc8n(-c8ccco8)c7c6)cc5n(-c5ccccc5)c4c32)n1.

What is the InChIKey of 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is HQMTYUTUKKZJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H68N10O/c1-5-25-71(26-6-1)113-95-58-56-79-75-33-13-17-37-88(75)114(72-27-7-2-8-28-72)106(79)105(95)86-51-47-68(65-97(86)113)67-48-57-92-87(63-67)83-55-54-80-76-34-14-18-38-89(76)115(73-29-9-3-10-30-73)107(80)110(83)120(92)101-43-23-42-100(112-101)119-90-39-19-15-35-77(90)81-52-53-82-78-49-45-69(64-96(78)116(108(82)109(81)119)74-31-11-4-12-32-74)70-46-50-85-98(66-70)118(102-44-24-62-121-102)94-60-59-93-103(104(85)94)84-36-16-20-40-91(84)117(93)99-41-21-22-61-111-99/h1-66,86,97H.

What are the key properties of 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?

3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1545.82 g/mol, XLogP of 27.67, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,12-diphenyl-4a,12c-dihydroindolo[2,3-g]carbazol-3-yl)-12-[6-[2-[9-(furan-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 134352675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).