2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine

C174H124N10 — CID 160851380

About 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine

2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine (PubChem CID 160851380) has the molecular formula C174H124N10 and a molecular weight of 2354.98 g/mol. Its IUPAC name is 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine
• PubChem CID: 160851380
• Molecular Formula: C174H124N10
• Molecular Weight: 2354.98 g/mol
• Exact Mass: 2353.00
• IUPAC Name: 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine
• SMILES: c1ccc2c(Nc3cccc4ccccc34)cccc2c1.c1ccc2c(c1)Cc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1c3ccccc3[nH]c21.c1ccc2cc(Nc3cccc4ccccc34)ccc2c1.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1N3.c1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2cc13.c1ccc2cc3c(cc2c1)[nH]c1ccccc13
• InChI: InChI=1S/C21H15N.2C20H13N.2C20H15N.3C16H11N.C13H11N.C12H9N/c1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)22-20;1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19;1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-10,12-13,22H,11H2;2*1-12,21H;2*1-14,21H;3*1-10,17H;1-8,14H,9H2;1-8,13H
• InChIKey: SJHORIYFBSFAEV-UHFFFAOYSA-N
• XLogP: 48.45
• TPSA: 142.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.98
LogP ≤ 5	48.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine?

The IUPAC name of 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine (CID 160851380) is 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine.

What is the SMILES notation for 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine?

The canonical SMILES for 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine is c1ccc2c(Nc3cccc4ccccc34)cccc2c1.c1ccc2c(c1)Cc1ccccc1N2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1c3ccccc3[nH]c21.c1ccc2cc(Nc3cccc4ccccc34)ccc2c1.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1N3.c1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2cc13.c1ccc2cc3c(cc2c1)[nH]c1ccccc13.

What is the InChIKey of 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine?

The InChIKey is SJHORIYFBSFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N.2C20H13N.2C20H15N.3C16H11N.C13H11N.C12H9N/c1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)22-20;1-3-7-15-11-19-17(9-13(15)5-1)18-10-14-6-2-4-8-16(14)12-20(18)21-19;1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-10,12-13,22H,11H2;2*1-12,21H;2*1-14,21H;3*1-10,17H;1-8,14H,9H2;1-8,13H.

What are the key properties of 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine?

2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine has a molecular weight of 2354.98 g/mol, XLogP of 48.45, 4 rotatable bonds, 10 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 160851380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).