5-[9-[3-(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),6,11,13,15,17,19,21-decaene

C61H39N5 — CID 134301201

IUPAC5-[9-[3-(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),6,11,13,15,17,19,21-decaene
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)Cc2c1n(-c1ccccc1)c1cc3c4c(cccc4c21)-c1ccccc1-3
InChIInChI=1S/C61H39N5/c1-4-16-38(17-5-1)59-62-60(39-18-6-2-7-19-39)64-61(63-59)42-20-14-23-44(34-42)66-53-29-13-12-26-47(53)50-35-40(30-32-54(50)66)41-31-33-55-52(36-41)58-49-28-15-27-48-45-24-10-11-25-46(45)51(57(48)49)37-56(58)65(55)43-21-8-3-9-22-43/h1-35,37,41H,36H2
InChIKeyOGCVUIPSQJGCOP-UHFFFAOYSA-N
MW842.02 g/mol
LogP15.07
Rot. Bonds6

About 5-[9-[3-(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),6,11,13,15,17,19,21-decaene

5-[9-[3-(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),6,11,13,15,17,19,21-decaene (PubChem CID 134301201) has the molecular formula C61H39N5 and a molecular weight of 842.02 g/mol. Its IUPAC name is 5-[9-[3-(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),6,11,13,15,17,19,21-decaene.

Molecular Properties

Compound Name5-[9-[3-(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),6,11,13,15,17,19,21-decaene
PubChem CID134301201
Molecular FormulaC61H39N5
Molecular Weight842.02 g/mol
Exact Mass841.32
IUPAC Name5-[9-[3-(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),6,11,13,15,17,19,21-decaene
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)Cc2c1n(-c1ccccc1)c1cc3c4c(cccc4c21)-c1ccccc1-3
InChIInChI=1S/C61H39N5/c1-4-16-38(17-5-1)59-62-60(39-18-6-2-7-19-39)64-61(63-59)42-20-14-23-44(34-42)66-53-29-13-12-26-47(53)50-35-40(30-32-54(50)66)41-31-33-55-52(36-41)58-49-28-15-27-48-45-24-10-11-25-46(45)51(57(48)49)37-56(58)65(55)43-21-8-3-9-22-43/h1-35,37,41H,36H2
InChIKeyOGCVUIPSQJGCOP-UHFFFAOYSA-N
XLogP15.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-[3-(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),6,11,13,15,17,19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-(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),6,11,13,15,17,19,21-decaene?
The IUPAC name of 5-[9-[3-(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),6,11,13,15,17,19,21-decaene (CID 134301201) is 5-[9-[3-(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),6,11,13,15,17,19,21-decaene.
What is the SMILES notation for 5-[9-[3-(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),6,11,13,15,17,19,21-decaene?
The canonical SMILES for 5-[9-[3-(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),6,11,13,15,17,19,21-decaene is C1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)Cc2c1n(-c1ccccc1)c1cc3c4c(cccc4c21)-c1ccccc1-3.
What is the InChIKey of 5-[9-[3-(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),6,11,13,15,17,19,21-decaene?
The InChIKey is OGCVUIPSQJGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5/c1-4-16-38(17-5-1)59-62-60(39-18-6-2-7-19-39)64-61(63-59)42-20-14-23-44(34-42)66-53-29-13-12-26-47(53)50-35-40(30-32-54(50)66)41-31-33-55-52(36-41)58-49-28-15-27-48-45-24-10-11-25-46(45)51(57(48)49)37-56(58)65(55)43-21-8-3-9-22-43/h1-35,37,41H,36H2.
What are the key properties of 5-[9-[3-(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),6,11,13,15,17,19,21-decaene?
5-[9-[3-(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),6,11,13,15,17,19,21-decaene has a molecular weight of 842.02 g/mol, XLogP of 15.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-(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),6,11,13,15,17,19,21-decaene is sourced from PubChem (CID 134301201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).