10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C51H31N5 — CID 121446911

About 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121446911) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 121446911
• Molecular Formula: C51H31N5
• Molecular Weight: 713.84 g/mol
• Exact Mass: 713.26
• IUPAC Name: 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5c(c3)c3ccccc3n5-c3ccc(-n5c6ccccc6c6ccccc65)cc3-c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C51H31N5/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)34-29-42-37-20-8-7-19-36(37)41-31-35(55-44-24-12-9-21-38(44)39-22-10-13-25-45(39)55)27-28-47(41)56-46-26-14-11-23-40(46)43(30-34)48(42)56/h1-31H
• InChIKey: ZBWKBYFMLFNVCT-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.84
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121446911) is 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5c(c3)c3ccccc3n5-c3ccc(-n5c6ccccc6c6ccccc65)cc3-c3ccccc3-4)n2)cc1.

What is the InChIKey of 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is ZBWKBYFMLFNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)34-29-42-37-20-8-7-19-36(37)41-31-35(55-44-24-12-9-21-38(44)39-22-10-13-25-45(39)55)27-28-47(41)56-46-26-14-11-23-40(46)43(30-34)48(42)56/h1-31H.

What are the key properties of 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?

10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 713.84 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).