14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene

C115H73N7 — CID 162256906

About 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene

14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene (PubChem CID 162256906) has the molecular formula C115H73N7 and a molecular weight of 1552.90 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
• PubChem CID: 162256906
• Molecular Formula: C115H73N7
• Molecular Weight: 1552.90 g/mol
• Exact Mass: 1551.59
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3c3nc5ccccc5n43)cc21.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2cc4ccccc4cc2c2nc4ccccc4n32)c1.c1cc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)c2cc4ccccc4cc2c2nc4ccccc4n32)c1
• InChI: InChI=1S/C39H24N2.C38H23N3.C38H26N2/c1-2-9-26-20-31(17-16-25(26)8-1)27-12-7-13-28(21-27)32-18-19-37-34(23-32)33-22-29-10-3-4-11-30(29)24-35(33)39-40-36-14-5-6-15-38(36)41(37)39;1-2-9-25-20-28(17-16-24(25)8-1)33-13-7-14-34(39-33)29-18-19-36-31(23-29)30-21-26-10-3-4-11-27(26)22-32(30)38-40-35-12-5-6-15-37(35)41(36)38;1-38(2)32-12-6-5-11-27(32)28-17-15-26(22-33(28)38)25-16-18-35-30(20-25)29-19-23-9-3-4-10-24(23)21-31(29)37-39-34-13-7-8-14-36(34)40(35)37/h1-24H;1-23H;3-22H,1-2H3
• InChIKey: ZYSFZPPBBCUOOS-UHFFFAOYSA-N
• XLogP: 30.18
• TPSA: 64.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1552.90
LogP ≤ 5	30.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene (CID 162256906) is 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3c3nc5ccccc5n43)cc21.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(c2)c2cc4ccccc4cc2c2nc4ccccc4n32)c1.c1cc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)c2cc4ccccc4cc2c2nc4ccccc4n32)c1.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

The InChIKey is ZYSFZPPBBCUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2.C38H23N3.C38H26N2/c1-2-9-26-20-31(17-16-25(26)8-1)27-12-7-13-28(21-27)32-18-19-37-34(23-32)33-22-29-10-3-4-11-30(29)24-35(33)39-40-36-14-5-6-15-38(36)41(37)39;1-2-9-25-20-28(17-16-24(25)8-1)33-13-7-14-34(39-33)29-18-19-36-31(23-29)30-21-26-10-3-4-11-27(26)22-32(30)38-40-35-12-5-6-15-37(35)41(36)38;1-38(2)32-12-6-5-11-27(32)28-17-15-26(22-33(28)38)25-16-18-35-30(20-25)29-19-23-9-3-4-10-24(23)21-31(29)37-39-34-13-7-8-14-36(34)40(35)37/h1-24H;1-23H;3-22H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene?

14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene has a molecular weight of 1552.90 g/mol, XLogP of 30.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(3-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-yl-2-pyridinyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene is sourced from PubChem (CID 162256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).