9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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

C141H86N18 — CID 158001880

IUPAC9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ncc8ccccc8n7)c6ccc54)ccc32)cc1
InChIInChI=1S/2C49H30N6.C43H26N6/c1-3-13-31(14-4-1)48-36-19-7-10-20-41(36)51-49(52-48)55-43-22-12-9-18-35(43)39-28-46-38(29-47(39)55)34-17-8-11-21-42(34)54(46)33-23-24-44-37(27-33)40-30-50-26-25-45(40)53(44)32-15-5-2-6-16-32;1-3-13-31(14-4-1)48-34-17-7-10-20-39(34)51-49(52-48)55-41-22-12-9-19-36(41)47-45(55)26-25-44-46(47)35-18-8-11-21-40(35)54(44)33-23-24-42-37(29-33)38-30-50-28-27-43(38)53(42)32-15-5-2-6-16-32;1-2-11-28(12-3-1)47-37-19-18-29(24-32(37)33-26-44-23-22-38(33)47)48-35-16-8-5-13-30(35)41-39(48)20-21-40-42(41)31-14-6-9-17-36(31)49(40)43-45-25-27-10-4-7-15-34(27)46-43/h2*1-30H;1-26H
InChIKeyFDVHBAHVRVGDDZ-UHFFFAOYSA-N
MW2032.36 g/mol
LogP34.28
Rot. Bonds11

About 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 (PubChem CID 158001880) has the molecular formula C141H86N18 and a molecular weight of 2032.36 g/mol. Its IUPAC name is 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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.

Molecular Properties

Compound Name9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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
PubChem CID158001880
Molecular FormulaC141H86N18
Molecular Weight2032.36 g/mol
Exact Mass2030.73
IUPAC Name9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ncc8ccccc8n7)c6ccc54)ccc32)cc1
InChIInChI=1S/2C49H30N6.C43H26N6/c1-3-13-31(14-4-1)48-36-19-7-10-20-41(36)51-49(52-48)55-43-22-12-9-18-35(43)39-28-46-38(29-47(39)55)34-17-8-11-21-42(34)54(46)33-23-24-44-37(27-33)40-30-50-26-25-45(40)53(44)32-15-5-2-6-16-32;1-3-13-31(14-4-1)48-34-17-7-10-20-39(34)51-49(52-48)55-41-22-12-9-19-36(41)47-45(55)26-25-44-46(47)35-18-8-11-21-40(35)54(44)33-23-24-42-37(29-33)38-30-50-28-27-43(38)53(42)32-15-5-2-6-16-32;1-2-11-28(12-3-1)47-37-19-18-29(24-32(37)33-26-44-23-22-38(33)47)48-35-16-8-5-13-30(35)41-39(48)20-21-40-42(41)31-14-6-9-17-36(31)49(40)43-45-25-27-10-4-7-15-34(27)46-43/h2*1-30H;1-26H
InChIKeyFDVHBAHVRVGDDZ-UHFFFAOYSA-N
XLogP34.28
TPSA160.38 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.36
LogP ≤ 534.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 with MolForge

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Related Compounds

2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-(4,6-diphenylquinazolin-2-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-(4,7-diphenylquinazolin-2-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-(4,6-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-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-(4,7-diphenylquinazolin-2-yl)-14-(4-phenylphenyl)-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
CID 157258726
9-(4-methylphenyl)-14-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-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
CID 170201968

Frequently Asked Questions

What is the IUPAC name of 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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?
The IUPAC name of 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 (CID 158001880) is 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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.
What is the SMILES notation for 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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?
The canonical SMILES for 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 is c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2c3ccncc3c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ncc8ccccc8n7)c6ccc54)ccc32)cc1.
What is the InChIKey of 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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?
The InChIKey is FDVHBAHVRVGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H30N6.C43H26N6/c1-3-13-31(14-4-1)48-36-19-7-10-20-41(36)51-49(52-48)55-43-22-12-9-18-35(43)39-28-46-38(29-47(39)55)34-17-8-11-21-42(34)54(46)33-23-24-44-37(27-33)40-30-50-26-25-45(40)53(44)32-15-5-2-6-16-32;1-3-13-31(14-4-1)48-34-17-7-10-20-39(34)51-49(52-48)55-41-22-12-9-19-36(41)47-45(55)26-25-44-46(47)35-18-8-11-21-40(35)54(44)33-23-24-42-37(29-33)38-30-50-28-27-43(38)53(42)32-15-5-2-6-16-32;1-2-11-28(12-3-1)47-37-19-18-29(24-32(37)33-26-44-23-22-38(33)47)48-35-16-8-5-13-30(35)41-39(48)20-21-40-42(41)31-14-6-9-17-36(31)49(40)43-45-25-27-10-4-7-15-34(27)46-43/h2*1-30H;1-26H.
What are the key properties of 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 has a molecular weight of 2032.36 g/mol, XLogP of 34.28, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-(4-phenylquinazolin-2-yl)-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;5-(5-phenylpyrido[4,3-b]indol-8-yl)-11-(4-phenylquinazolin-2-yl)indolo[3,2-b]carbazole;9-(5-phenylpyrido[4,3-b]indol-8-yl)-14-quinazolin-2-yl-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 is sourced from PubChem (CID 158001880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).