24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

C146H90N6 — CID 160716507

About 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (PubChem CID 160716507) has the molecular formula C146H90N6 and a molecular weight of 1928.37 g/mol. Its IUPAC name is 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

Molecular Properties

• Compound Name: 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• PubChem CID: 160716507
• Molecular Formula: C146H90N6
• Molecular Weight: 1928.37 g/mol
• Exact Mass: 1926.72
• IUPAC Name: 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• SMILES: c1ccc(-c2cccc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)c2)cc1.c1ccc(-c2cccc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)n2)cc1.c1ccc(-n2cc3c4c(cccc42)-c2c(c4ccccc4c4ccccc24)-c2ccccc2-3)cc1.c1ccc(-n2cc3c4c(cccc42)-c2c(c4ccccc4c4ccccc24)-c2ccccc2-3)nc1
• InChI: InChI=1S/C40H25N.C39H24N2.C34H21N.C33H20N2/c1-2-12-26(13-3-1)27-14-10-15-28(24-27)41-25-36-31-18-6-9-21-34(31)39-32-19-7-4-16-29(32)30-17-5-8-20-33(30)40(39)35-22-11-23-37(41)38(35)36;1-2-12-25(13-3-1)34-21-11-23-36(40-34)41-24-33-28-16-6-9-19-31(28)38-29-17-7-4-14-26(29)27-15-5-8-18-30(27)39(38)32-20-10-22-35(41)37(32)33;1-2-11-22(12-3-1)35-21-30-25-15-6-9-18-28(25)33-26-16-7-4-13-23(26)24-14-5-8-17-27(24)34(33)29-19-10-20-31(35)32(29)30;1-4-13-24-21(10-1)22-11-2-5-14-25(22)33-27-16-9-17-29-31(27)28(20-35(29)30-18-7-8-19-34-30)23-12-3-6-15-26(23)32(24)33/h1-25H;1-24H;1-21H;1-20H
• InChIKey: RSNRMMHMVVSESX-UHFFFAOYSA-N
• XLogP: 39.13
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1928.37
LogP ≤ 5	39.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The IUPAC name of 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (CID 160716507) is 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

What is the SMILES notation for 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The canonical SMILES for 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is c1ccc(-c2cccc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)c2)cc1.c1ccc(-c2cccc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)n2)cc1.c1ccc(-n2cc3c4c(cccc42)-c2c(c4ccccc4c4ccccc24)-c2ccccc2-3)cc1.c1ccc(-n2cc3c4c(cccc42)-c2c(c4ccccc4c4ccccc24)-c2ccccc2-3)nc1.

What is the InChIKey of 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The InChIKey is RSNRMMHMVVSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N.C39H24N2.C34H21N.C33H20N2/c1-2-12-26(13-3-1)27-14-10-15-28(24-27)41-25-36-31-18-6-9-21-34(31)39-32-19-7-4-16-29(32)30-17-5-8-20-33(30)40(39)35-22-11-23-37(41)38(35)36;1-2-12-25(13-3-1)34-21-11-23-36(40-34)41-24-33-28-16-6-9-19-31(28)38-29-17-7-4-14-26(29)27-15-5-8-18-30(27)39(38)32-20-10-22-35(41)37(32)33;1-2-11-22(12-3-1)35-21-30-25-15-6-9-18-28(25)33-26-16-7-4-13-23(26)24-14-5-8-17-27(24)34(33)29-19-10-20-31(35)32(29)30;1-4-13-24-21(10-1)22-11-2-5-14-25(22)33-27-16-9-17-29-31(27)28(20-35(29)30-18-7-8-19-34-30)23-12-3-6-15-26(23)32(24)33/h1-25H;1-24H;1-21H;1-20H.

What are the key properties of 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene has a molecular weight of 1928.37 g/mol, XLogP of 39.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-phenyl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(3-phenylphenyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-(6-phenyl-2-pyridinyl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-pyridin-2-yl-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is sourced from PubChem (CID 160716507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).