9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C53H33N5 — CID 123701995

IUPAC9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4cccnc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1
InChIInChI=1S/C53H33N5/c1-6-24-45-38(18-1)39-19-2-7-25-46(39)55(45)34-14-11-16-36(32-34)57-49-28-10-5-22-44(49)51-50(57)30-29-42-43-23-13-31-54-53(43)58(52(42)51)37-17-12-15-35(33-37)56-47-26-8-3-20-40(47)41-21-4-9-27-48(41)56/h1-33H
InChIKeyCWAMLLYTASLOPC-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.47
Rot. Bonds4

About 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 123701995) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID123701995
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4cccnc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1
InChIInChI=1S/C53H33N5/c1-6-24-45-38(18-1)39-19-2-7-25-46(39)55(45)34-14-11-16-36(32-34)57-49-28-10-5-22-44(49)51-50(57)30-29-42-43-23-13-31-54-53(43)58(52(42)51)37-17-12-15-35(33-37)56-47-26-8-3-20-40(47)41-21-4-9-27-48(41)56/h1-33H
InChIKeyCWAMLLYTASLOPC-UHFFFAOYSA-N
XLogP13.47
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
5-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole
CID 157474478
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole
CID 162215345
20-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140820509
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
20-[3-(3-carbazol-9-ylphenyl)phenyl]-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 139574904
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
diphenyl-(3-phenylphenyl)-[3-[6-pyrido[2,3-b]indol-9-yl-2-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane
CID 168842660
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457

Frequently Asked Questions

What is the IUPAC name of 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 123701995) is 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c2ccc2c4cccnc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1.
What is the InChIKey of 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is CWAMLLYTASLOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-6-24-45-38(18-1)39-19-2-7-25-46(39)55(45)34-14-11-16-36(32-34)57-49-28-10-5-22-44(49)51-50(57)30-29-42-43-23-13-31-54-53(43)58(52(42)51)37-17-12-15-35(33-37)56-47-26-8-3-20-40(47)41-21-4-9-27-48(41)56/h1-33H.
What are the key properties of 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 739.88 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,20-bis(3-carbazol-9-ylphenyl)-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 123701995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).