6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene

C63H40N6 — CID 129303379

IUPAC6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-n3c4ccc5ccccc5c4c4c5ccn(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c7c6)c5ccc43)c2)cc1
InChIInChI=1S/C63H40N6/c1-4-15-41(16-5-1)46-22-14-23-49(39-46)69-56-34-29-42-17-10-11-24-50(42)59(56)60-53-37-38-67(54(53)35-36-57(60)69)48-32-33-52-51-25-12-13-26-55(51)68(58(52)40-48)47-30-27-45(28-31-47)63-65-61(43-18-6-2-7-19-43)64-62(66-63)44-20-8-3-9-21-44/h1-40H
InChIKeyFJMMCNDNEQZPTH-UHFFFAOYSA-N
MW881.06 g/mol
LogP15.83
Rot. Bonds7

About 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene

6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene (PubChem CID 129303379) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
PubChem CID129303379
Molecular FormulaC63H40N6
Molecular Weight881.06 g/mol
Exact Mass880.33
IUPAC Name6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-n3c4ccc5ccccc5c4c4c5ccn(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c7c6)c5ccc43)c2)cc1
InChIInChI=1S/C63H40N6/c1-4-15-41(16-5-1)46-22-14-23-49(39-46)69-56-34-29-42-17-10-11-24-50(42)59(56)60-53-37-38-67(54(53)35-36-57(60)69)48-32-33-52-51-25-12-13-26-55(51)68(58(52)40-48)47-30-27-45(28-31-47)63-65-61(43-18-6-2-7-19-43)64-62(66-63)44-20-8-3-9-21-44/h1-40H
InChIKeyFJMMCNDNEQZPTH-UHFFFAOYSA-N
XLogP15.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.06
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene with MolForge

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Related Compounds

6-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303573
12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-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 166916096
6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 129303383
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-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 118449206
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;9-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159765258
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)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
CID 122598828
6-carbazol-9-yl-9,14-diphenyl-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-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-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-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-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-nonaene;6,9,14-triphenyl-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-nonaene
CID 157256630
9-(4-carbazol-9-ylphenyl)-14-[4-[4-[4-[6-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]-9-phenylcarbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]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
CID 163928350

Frequently Asked Questions

What is the IUPAC name of 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?
The IUPAC name of 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene (CID 129303379) is 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene.
What is the SMILES notation for 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?
The canonical SMILES for 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene is c1ccc(-c2cccc(-n3c4ccc5ccccc5c4c4c5ccn(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c7c6)c5ccc43)c2)cc1.
What is the InChIKey of 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?
The InChIKey is FJMMCNDNEQZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6/c1-4-15-41(16-5-1)46-22-14-23-49(39-46)69-56-34-29-42-17-10-11-24-50(42)59(56)60-53-37-38-67(54(53)35-36-57(60)69)48-32-33-52-51-25-12-13-26-55(51)68(58(52)40-48)47-30-27-45(28-31-47)63-65-61(43-18-6-2-7-19-43)64-62(66-63)44-20-8-3-9-21-44/h1-40H.
What are the key properties of 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?
6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene has a molecular weight of 881.06 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-11-(3-phenylphenyl)-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene is sourced from PubChem (CID 129303379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).