24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C52H34N4O — CID 147760875

About 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 147760875) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 147760875
• Molecular Formula: C52H34N4O
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.27
• IUPAC Name: 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)n3)cc21
• InChI: InChI=1S/C52H34N4O/c1-52(2)41-21-11-8-16-35(41)36-29-28-34(30-42(36)52)50-53-49(33-26-24-32(25-27-33)31-14-4-3-5-15-31)54-51(55-50)56-43-22-12-9-19-39(43)45-37-17-6-7-18-38(37)46-40-20-10-13-23-44(40)57-48(46)47(45)56/h3-30H,1-2H3
• InChIKey: HEAVLBYQCMPJIK-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 147760875) is 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)n3)cc21.

What is the InChIKey of 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is HEAVLBYQCMPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-52(2)41-21-11-8-16-35(41)36-29-28-34(30-42(36)52)50-53-49(33-26-24-32(25-27-33)31-14-4-3-5-15-31)54-51(55-50)56-43-22-12-9-19-39(43)45-37-17-6-7-18-38(37)46-40-20-10-13-23-44(40)57-48(46)47(45)56/h3-30H,1-2H3.

What are the key properties of 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 730.87 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 147760875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).