16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene

C153H82N12 — CID 157383445

About 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene

16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene (PubChem CID 157383445) has the molecular formula C153H82N12 and a molecular weight of 2088.42 g/mol. Its IUPAC name is 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
• PubChem CID: 157383445
• Molecular Formula: C153H82N12
• Molecular Weight: 2088.42 g/mol
• Exact Mass: 2086.68
• IUPAC Name: 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
• SMILES: Cc1ncccc1-c1c(-c2cc3ccccc3c3ccccc23)c2ccccc2c2ccccc12.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c(cc2c1C#N)c1cccnc1c1c2ccccc2c2ccccc2c31.[C-]#[N+]c1cc2c3cccnc3c3c4ccccc4c4ccccc4c3c2c([N+]#[C-])c1[N+]#[C-].c1ccc2c(c1)ccc1c2c2cccnc2c2c3ccccc3c3ccccc3c12.c1ccc2c(c1)ccc1c3cccnc3c3c4ccccc4c4ccccc4c3c21
• InChI: InChI=1S/C34H23N.C33H13N5.2C29H17N.C28H12N4/c1-22-24(19-10-20-35-22)33-30-17-8-6-14-27(30)28-15-7-9-18-31(28)34(33)32-21-23-11-2-3-12-25(23)26-13-4-5-16-29(26)32;1-35-31-26-16-25-23(15-24(26)27(17-34)32(36-2)33(31)37-3)22-13-8-14-38-30(22)29-21-12-7-5-10-19(21)18-9-4-6-11-20(18)28(25)29;1-2-9-19-18(8-1)15-16-24-26(19)25-14-7-17-30-29(25)28-23-13-6-4-11-21(23)20-10-3-5-12-22(20)27(24)28;1-2-9-19-18(8-1)15-16-24-25-14-7-17-30-29(25)28-23-13-6-4-11-21(23)20-10-3-5-12-22(20)27(28)26(19)24;1-29-22-15-21-20-13-8-14-32-26(20)24-19-12-7-5-10-17(19)16-9-4-6-11-18(16)23(24)25(21)28(31-3)27(22)30-2/h2-21H,1H3;4-16H;2*1-17H;4-15H
• InChIKey: BLDPPABYWICFSG-UHFFFAOYSA-N
• XLogP: 43.36
• TPSA: 114.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2088.42
LogP ≤ 5	43.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene?

The IUPAC name of 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene (CID 157383445) is 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene.

What is the SMILES notation for 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene?

The canonical SMILES for 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene is Cc1ncccc1-c1c(-c2cc3ccccc3c3ccccc23)c2ccccc2c2ccccc12.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c(cc2c1C#N)c1cccnc1c1c2ccccc2c2ccccc2c31.[C-]#[N+]c1cc2c3cccnc3c3c4ccccc4c4ccccc4c3c2c([N+]#[C-])c1[N+]#[C-].c1ccc2c(c1)ccc1c2c2cccnc2c2c3ccccc3c3ccccc3c12.c1ccc2c(c1)ccc1c3cccnc3c3c4ccccc4c4ccccc4c3c21.

What is the InChIKey of 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene?

The InChIKey is BLDPPABYWICFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N.C33H13N5.2C29H17N.C28H12N4/c1-22-24(19-10-20-35-22)33-30-17-8-6-14-27(30)28-15-7-9-18-31(28)34(33)32-21-23-11-2-3-12-25(23)26-13-4-5-16-29(26)32;1-35-31-26-16-25-23(15-24(26)27(17-34)32(36-2)33(31)37-3)22-13-8-14-38-30(22)29-21-12-7-5-10-19(21)18-9-4-6-11-20(18)28(25)29;1-2-9-19-18(8-1)15-16-24-26(19)25-14-7-17-30-29(25)28-23-13-6-4-11-21(23)20-10-3-5-12-22(20)27(24)28;1-2-9-19-18(8-1)15-16-24-25-14-7-17-30-29(25)28-23-13-6-4-11-21(23)20-10-3-5-12-22(20)27(28)26(19)24;1-29-22-15-21-20-13-8-14-32-26(20)24-19-12-7-5-10-17(19)16-9-4-6-11-18(16)23(24)25(21)28(31-3)27(22)30-2/h2-21H,1H3;4-16H;2*1-17H;4-15H.

What are the key properties of 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene?

16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene has a molecular weight of 2088.42 g/mol, XLogP of 43.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-azaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;16-azaheptacyclo[16.12.0.02,11.05,10.012,17.019,24.025,30]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene;2-methyl-3-(10-phenanthren-9-ylphenanthren-9-yl)pyridine;5,6,7-triisocyano-16-azaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12(17),13,15,19,21,23,25,27,29-pentadecaene-8-carbonitrile;10,11,12-triisocyano-3-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 157383445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).