14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

C61H39N5O — CID 134252684

About 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (PubChem CID 134252684) has the molecular formula C61H39N5O and a molecular weight of 858.02 g/mol. Its IUPAC name is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
• PubChem CID: 134252684
• Molecular Formula: C61H39N5O
• Molecular Weight: 858.02 g/mol
• Exact Mass: 857.32
• IUPAC Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
• SMILES: C1=c2c(n(-c3ccccc3)c3ccccc23)=CCC1n1c2ccc3ccccc3c2c2c3oc4ccccc4c3cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21
• InChI: InChI=1S/C61H39N5O/c1-4-18-39(19-5-1)59-62-60(40-20-6-2-7-21-40)64-61(63-59)42-23-16-22-41(35-42)48-37-50-47-28-13-15-30-54(47)67-58(50)56-55-45-26-11-10-17-38(45)31-33-53(55)66(57(48)56)44-32-34-52-49(36-44)46-27-12-14-29-51(46)65(52)43-24-8-3-9-25-43/h1-31,33-37,44H,32H2
• InChIKey: RFIUYXXVNIKLCJ-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.02
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (CID 134252684) is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

What is the SMILES notation for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The canonical SMILES for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is C1=c2c(n(-c3ccccc3)c3ccccc23)=CCC1n1c2ccc3ccccc3c2c2c3oc4ccccc4c3cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21.

What is the InChIKey of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

The InChIKey is RFIUYXXVNIKLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5O/c1-4-18-39(19-5-1)59-62-60(40-20-6-2-7-21-40)64-61(63-59)42-23-16-22-41(35-42)48-37-50-47-28-13-15-30-54(47)67-58(50)56-55-45-26-11-10-17-38(45)31-33-53(55)66(57(48)56)44-32-34-52-49(36-44)46-27-12-14-29-51(46)65(52)43-24-8-3-9-25-43/h1-31,33-37,44H,32H2.

What are the key properties of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene has a molecular weight of 858.02 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is sourced from PubChem (CID 134252684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).