9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole

C198H122N18 — CID 159421096

IUPAC9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.C1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4ccc32)cc1
InChIInChI=1S/2C57H36N6.2C42H25N3/c1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)63-51-29-14-8-23-41(51)45-31-30-44-40-22-7-11-26-48(40)61(53(44)54(45)63)39-21-15-20-37(32-39)38-33-46-42-24-9-12-27-49(42)62-50-28-13-10-25-43(50)47(34-38)52(46)62;1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)63-50-28-12-9-23-42(50)46-31-30-45-41-22-7-10-26-48(41)61(53(45)54(46)63)39-20-13-19-37(33-39)38-29-32-51-47(34-38)44-25-14-24-43-40-21-8-11-27-49(40)62(51)52(43)44;1-2-12-26(13-3-1)43-36-20-10-6-16-30(36)40-38(43)22-23-39-41(40)31-17-7-11-21-37(31)44(39)27-24-32-28-14-4-8-18-34(28)45-35-19-9-5-15-29(35)33(25-27)42(32)45;1-2-11-26(12-3-1)43-35-19-8-5-14-31(35)40-38(43)23-24-39-41(40)32-15-6-9-20-36(32)44(39)27-21-22-37-33(25-27)30-17-10-16-29-28-13-4-7-18-34(28)45(37)42(29)30/h1-34,41,51H;1-34,42,50H;2*1-25H
InChIKeyLPTUGSLLSNFCJG-UHFFFAOYSA-N
MW2753.28 g/mol
LogP49.76
Rot. Bonds14

About 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole

9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole (PubChem CID 159421096) has the molecular formula C198H122N18 and a molecular weight of 2753.28 g/mol. Its IUPAC name is 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole
PubChem CID159421096
Molecular FormulaC198H122N18
Molecular Weight2753.28 g/mol
Exact Mass2751.01
IUPAC Name9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.C1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4ccc32)cc1
InChIInChI=1S/2C57H36N6.2C42H25N3/c1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)63-51-29-14-8-23-41(51)45-31-30-44-40-22-7-11-26-48(40)61(53(44)54(45)63)39-21-15-20-37(32-39)38-33-46-42-24-9-12-27-49(42)62-50-28-13-10-25-43(50)47(34-38)52(46)62;1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)63-50-28-12-9-23-42(50)46-31-30-45-41-22-7-10-26-48(41)61(53(45)54(46)63)39-20-13-19-37(33-39)38-29-32-51-47(34-38)44-25-14-24-43-40-21-8-11-27-49(40)62(51)52(43)44;1-2-12-26(13-3-1)43-36-20-10-6-16-30(36)40-38(43)22-23-39-41(40)31-17-7-11-21-37(31)44(39)27-24-32-28-14-4-8-18-34(28)45-35-19-9-5-15-29(35)33(25-27)42(32)45;1-2-11-26(12-3-1)43-35-19-8-5-14-31(35)40-38(43)23-24-39-41(40)32-15-6-9-20-36(32)44(39)27-21-22-37-33(25-27)30-17-10-16-29-28-13-4-7-18-34(28)45(37)42(29)30/h1-34,41,51H;1-34,42,50H;2*1-25H
InChIKeyLPTUGSLLSNFCJG-UHFFFAOYSA-N
XLogP49.76
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002753.28
LogP ≤ 549.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole (CID 159421096) is 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.C1=CC2c3ccc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)c6cccc8c9ccccc9n7c86)c5)c4c3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C=C1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4ccc32)cc1.
What is the InChIKey of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole?
The InChIKey is LPTUGSLLSNFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H36N6.2C42H25N3/c1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)63-51-29-14-8-23-41(51)45-31-30-44-40-22-7-11-26-48(40)61(53(44)54(45)63)39-21-15-20-37(32-39)38-33-46-42-24-9-12-27-49(42)62-50-28-13-10-25-43(50)47(34-38)52(46)62;1-3-15-35(16-4-1)55-58-56(36-17-5-2-6-18-36)60-57(59-55)63-50-28-12-9-23-42(50)46-31-30-45-41-22-7-10-26-48(41)61(53(45)54(46)63)39-20-13-19-37(33-39)38-29-32-51-47(34-38)44-25-14-24-43-40-21-8-11-27-49(40)62(51)52(43)44;1-2-12-26(13-3-1)43-36-20-10-6-16-30(36)40-38(43)22-23-39-41(40)31-17-7-11-21-37(31)44(39)27-24-32-28-14-4-8-18-34(28)45-35-19-9-5-15-29(35)33(25-27)42(32)45;1-2-11-26(12-3-1)43-35-19-8-5-14-31(35)40-38(43)23-24-39-41(40)32-15-6-9-20-36(32)44(39)27-21-22-37-33(25-27)30-17-10-16-29-28-13-4-7-18-34(28)45(37)42(29)30/h1-34,41,51H;1-34,42,50H;2*1-25H.
What are the key properties of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole?
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole has a molecular weight of 2753.28 g/mol, XLogP of 49.76, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 159421096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).