13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile

C224H139N11 — CID 158911889

About 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile

13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile (PubChem CID 158911889) has the molecular formula C224H139N11 and a molecular weight of 2984.65 g/mol. Its IUPAC name is 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile.

Molecular Properties

• Compound Name: 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile
• PubChem CID: 158911889
• Molecular Formula: C224H139N11
• Molecular Weight: 2984.65 g/mol
• Exact Mass: 2982.12
• IUPAC Name: 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile
• SMILES: Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1c(-c2ccc3ccccc3c2)c2ccccc2c2ccccc12.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4ccc5ccccc5c4c4c(-c5ccccc5)cc(-c5ccccc5)n4c3cc2c1C#N.c1ccc(-c2cc(-c3ccccc3)n3c2c2c4ccccc4ccc2c2ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4cc5ccccc5cc4c4ccc5ccccc5c4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4ccc5ccccc5c4c4ccc5ccccc5c4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5cc4c4ccc5ccccc5c4c23)cc1
• InChI: InChI=1S/C41H29N.C40H19N5.3C36H23N.C35H22N2/c1-28-38(30-15-4-2-5-16-30)27-39(31-17-6-3-7-18-31)42(28)41-37-23-13-11-21-35(37)34-20-10-12-22-36(34)40(41)33-25-24-29-14-8-9-19-32(29)26-33;1-42-37-32-20-31-28-19-18-25-14-10-11-17-27(25)36(28)40-29(24-12-6-4-7-13-24)21-34(26-15-8-5-9-16-26)45(40)35(31)22-30(32)33(23-41)38(43-2)39(37)44-3;1-3-11-24(12-4-1)31-23-33(27-15-5-2-6-16-27)37-32-22-20-26-14-7-9-17-28(26)34(32)30-21-19-25-13-8-10-18-29(25)35(30)36(31)37;1-3-11-24(12-4-1)32-23-33(27-15-5-2-6-16-27)37-35-29-18-10-8-14-26(29)20-22-31(35)30-21-19-25-13-7-9-17-28(25)34(30)36(32)37;1-3-11-24(12-4-1)31-23-33(26-14-5-2-6-15-26)37-34-22-28-17-8-7-16-27(28)21-32(34)30-20-19-25-13-9-10-18-29(25)35(30)36(31)37;1-3-11-23(12-4-1)29-22-32(25-14-5-2-6-15-25)37-34(29)33-27-17-9-7-13-24(27)19-20-28(33)30-21-26-16-8-10-18-31(26)36-35(30)37/h2-27H,1H3;4-22H;3*1-23H;1-22H
• InChIKey: JGTFYNNHIZYWFD-UHFFFAOYSA-N
• XLogP: 61.60
• TPSA: 76.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2984.65
LogP ≤ 5	61.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile?

The IUPAC name of 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile (CID 158911889) is 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile.

What is the SMILES notation for 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile?

The canonical SMILES for 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile is Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1c(-c2ccc3ccccc3c2)c2ccccc2c2ccccc12.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4ccc5ccccc5c4c4c(-c5ccccc5)cc(-c5ccccc5)n4c3cc2c1C#N.c1ccc(-c2cc(-c3ccccc3)n3c2c2c4ccccc4ccc2c2ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4cc5ccccc5cc4c4ccc5ccccc5c4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4ccc5ccccc5c4c4ccc5ccccc5c4c23)cc1.c1ccc(-c2cc(-c3ccccc3)n3c4nc5ccccc5cc4c4ccc5ccccc5c4c23)cc1.

What is the InChIKey of 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile?

The InChIKey is JGTFYNNHIZYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N.C40H19N5.3C36H23N.C35H22N2/c1-28-38(30-15-4-2-5-16-30)27-39(31-17-6-3-7-18-31)42(28)41-37-23-13-11-21-35(37)34-20-10-12-22-36(34)40(41)33-25-24-29-14-8-9-19-32(29)26-33;1-42-37-32-20-31-28-19-18-25-14-10-11-17-27(25)36(28)40-29(24-12-6-4-7-13-24)21-34(26-15-8-5-9-16-26)45(40)35(31)22-30(32)33(23-41)38(43-2)39(37)44-3;1-3-11-24(12-4-1)31-23-33(27-15-5-2-6-16-27)37-32-22-20-26-14-7-9-17-28(26)34(32)30-21-19-25-13-8-10-18-29(25)35(30)36(31)37;1-3-11-24(12-4-1)32-23-33(27-15-5-2-6-16-27)37-35-29-18-10-8-14-26(29)20-22-31(35)30-21-19-25-13-7-9-17-28(25)34(30)36(32)37;1-3-11-24(12-4-1)31-23-33(26-14-5-2-6-15-26)37-34-22-28-17-8-7-16-27(28)21-32(34)30-20-19-25-13-9-10-18-29(25)35(30)36(31)37;1-3-11-23(12-4-1)29-22-32(25-14-5-2-6-15-25)37-34(29)33-27-17-9-7-13-24(27)19-20-28(33)30-21-26-16-8-10-18-31(26)36-35(30)37/h2-27H,1H3;4-22H;3*1-23H;1-22H.

What are the key properties of 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile?

13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile has a molecular weight of 2984.65 g/mol, XLogP of 61.60, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5,7,9,13,15,18,20,22,24-dodecaene;13,15-diphenyl-10,12-diazahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4,6,8,10,13,15,18,20,22,24-dodecaene;2-methyl-1-(10-naphthalen-2-ylphenanthren-9-yl)-3,5-diphenylpyrrole;5,6,7-triisocyano-13,15-diphenyl-12-azahexacyclo[15.8.0.02,11.04,9.012,16.018,23]pentacosa-1(17),2,4(9),5,7,10,13,15,18,20,22,24-dodecaene-8-carbonitrile is sourced from PubChem (CID 158911889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).