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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C110H72N10O — CID 134240223

IUPAC3-(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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=CC2C3=C(C=CC4C3c3ccc(-c5ccc6c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccc(C%12=CC%13C(C=C%12)c%12c(ccc%14c%15ccccc%15n(-c%15ccccc%15)c%12%14)N%13c%12ccccc%12)cc%11c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11%10)n9)c8c7n(-c7ccccc7)c6c5)cc3N4c3ccco3)N(c3ccccn3)C2C=C1
InChIInChI=1S/C110H72N10O/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/h1-66,84,86,91,94,97,104H
InChIKeyPCDLAISEEYNGOZ-UHFFFAOYSA-N
MW1549.85 g/mol
LogP26.54
Rot. Bonds10

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),3(8),4,6,11,16,18-heptaen-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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 134240223) has the molecular formula C110H72N10O and a molecular weight of 1549.85 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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-(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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID134240223
Molecular FormulaC110H72N10O
Molecular Weight1549.85 g/mol
Exact Mass1548.59
IUPAC Name3-(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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=CC2C3=C(C=CC4C3c3ccc(-c5ccc6c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccc(C%12=CC%13C(C=C%12)c%12c(ccc%14c%15ccccc%15n(-c%15ccccc%15)c%12%14)N%13c%12ccccc%12)cc%11c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11%10)n9)c8c7n(-c7ccccc7)c6c5)cc3N4c3ccco3)N(c3ccccn3)C2C=C1
InChIInChI=1S/C110H72N10O/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/h1-66,84,86,91,94,97,104H
InChIKeyPCDLAISEEYNGOZ-UHFFFAOYSA-N
XLogP26.54
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.85
LogP ≤ 526.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole with MolForge

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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),3(8),4,6,11,16,18-heptaen-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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 134240223) 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),3(8),4,6,11,16,18-heptaen-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),3(8),4,6,11,16,18-heptaen-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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is C1=CC2C3=C(C=CC4C3c3ccc(-c5ccc6c7ccc8c9ccccc9n(-c9cccc(-n%10c%11ccc(C%12=CC%13C(C=C%12)c%12c(ccc%14c%15ccccc%15n(-c%15ccccc%15)c%12%14)N%13c%12ccccc%12)cc%11c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11%10)n9)c8c7n(-c7ccccc7)c6c5)cc3N4c3ccco3)N(c3ccccn3)C2C=C1.
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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is PCDLAISEEYNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H72N10O/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/h1-66,84,86,91,94,97,104H.
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),3(8),4,6,11,16,18-heptaen-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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1549.85 g/mol, XLogP of 26.54, 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),3(8),4,6,11,16,18-heptaen-6-yl]-12-phenylindolo[2,3-a]carbazol-11-yl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 134240223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).