5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C61H37N5 — CID 134301023

IUPAC5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c8cccc9c8c(cc6n7-c6ccccc6)-c6ccccc6-9)ccc54)cc3)n2)cc1
InChIInChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)65-53-26-13-12-23-47(53)50-35-41(29-33-54(50)65)42-30-34-55-52(36-42)58-49-25-14-24-48-45-21-10-11-22-46(45)51(57(48)49)37-56(58)66(55)43-19-8-3-9-20-43/h1-37H
InChIKeyGERUPYIGDBYCMD-UHFFFAOYSA-N
MW840.00 g/mol
LogP15.53
Rot. Bonds6

About 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 134301023) has the molecular formula C61H37N5 and a molecular weight of 840.00 g/mol. Its IUPAC name is 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
PubChem CID134301023
Molecular FormulaC61H37N5
Molecular Weight840.00 g/mol
Exact Mass839.30
IUPAC Name5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c8cccc9c8c(cc6n7-c6ccccc6)-c6ccccc6-9)ccc54)cc3)n2)cc1
InChIInChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)65-53-26-13-12-23-47(53)50-35-41(29-33-54(50)65)42-30-34-55-52(36-42)58-49-25-14-24-48-45-21-10-11-22-46(45)51(57(48)49)37-56(58)66(55)43-19-8-3-9-20-43/h1-37H
InChIKeyGERUPYIGDBYCMD-UHFFFAOYSA-N
XLogP15.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.00
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The IUPAC name of 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 134301023) is 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The canonical SMILES for 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c8cccc9c8c(cc6n7-c6ccccc6)-c6ccccc6-9)ccc54)cc3)n2)cc1.
What is the InChIKey of 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The InChIKey is GERUPYIGDBYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5/c1-4-15-38(16-5-1)59-62-60(39-17-6-2-7-18-39)64-61(63-59)40-27-31-44(32-28-40)65-53-26-13-12-23-47(53)50-35-41(29-33-54(50)65)42-30-34-55-52(36-42)58-49-25-14-24-48-45-21-10-11-22-46(45)51(57(48)49)37-56(58)66(55)43-19-8-3-9-20-43/h1-37H.
What are the key properties of 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 840.00 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 134301023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).