24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]

C53H41N5 — CID 164819451

About 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]

24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane] (PubChem CID 164819451) has the molecular formula C53H41N5 and a molecular weight of 747.95 g/mol. Its IUPAC name is 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane].

Molecular Properties

• Compound Name: 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]
• PubChem CID: 164819451
• Molecular Formula: C53H41N5
• Molecular Weight: 747.95 g/mol
• Exact Mass: 747.34
• IUPAC Name: 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]
• SMILES: CC1CC2CCC3(c4ccccc4-c4c3ccc3c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)c43)C(C1)C2
• InChI: InChI=1S/C53H41N5/c1-32-29-33-27-28-53(36(30-32)31-33)42-20-10-7-19-40(42)48-43(53)25-24-41-47-37-16-6-5-13-34(37)23-26-46(47)58(49(41)48)52-55-50(35-14-3-2-4-15-35)54-51(56-52)57-44-21-11-8-17-38(44)39-18-9-12-22-45(39)57/h2-26,32-33,36H,27-31H2,1H3
• InChIKey: DAVZFGDQZOILSG-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.95
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]?

The IUPAC name of 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane] (CID 164819451) is 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane].

What is the SMILES notation for 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]?

The canonical SMILES for 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane] is CC1CC2CCC3(c4ccccc4-c4c3ccc3c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)c43)C(C1)C2.

What is the InChIKey of 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]?

The InChIKey is DAVZFGDQZOILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N5/c1-32-29-33-27-28-53(36(30-32)31-33)42-20-10-7-19-40(42)48-43(53)25-24-41-47-37-16-6-5-13-34(37)23-26-46(47)58(49(41)48)52-55-50(35-14-3-2-4-15-35)54-51(56-52)57-44-21-11-8-17-38(44)39-18-9-12-22-45(39)57/h2-26,32-33,36H,27-31H2,1H3.

What are the key properties of 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane]?

24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane] has a molecular weight of 747.95 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7'-methylspiro[24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene-9,2'-bicyclo[3.3.1]nonane] is sourced from PubChem (CID 164819451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).