25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene

C142H84N12 — CID 159144068

About 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene

25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene (PubChem CID 159144068) has the molecular formula C142H84N12 and a molecular weight of 1958.32 g/mol. Its IUPAC name is 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene.

Molecular Properties

• Compound Name: 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
• PubChem CID: 159144068
• Molecular Formula: C142H84N12
• Molecular Weight: 1958.32 g/mol
• Exact Mass: 1956.69
• IUPAC Name: 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
• SMILES: c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5nc6ccccc6nc5-c5ccccc5-7)ccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cccc6c4n5-c4nc5ccccc5nc4-c4ccccc4-6)ccc32)cc1.c1ccc2c(c1)-c1nc3ccccc3nc1-n1c3ccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc3c3cccc-2c31
• InChI: InChI=1S/C50H30N4.C48H28N4.C44H26N4/c1-3-12-31(13-4-1)34-22-25-37-41-28-32(23-26-45(41)53(47(37)30-34)35-14-5-2-6-15-35)33-24-27-46-42(29-33)40-19-11-18-39-36-16-7-8-17-38(36)48-50(54(46)49(39)40)52-44-21-10-9-20-43(44)51-48;1-2-11-30-26-33(23-20-29(30)10-1)51-43-19-8-5-13-35(43)36-24-21-32(28-45(36)51)31-22-25-44-40(27-31)39-16-9-15-38-34-12-3-4-14-37(34)46-48(52(44)47(38)39)50-42-18-7-6-17-41(42)49-46;1-2-11-29(12-3-1)47-39-20-9-6-14-31(39)35-25-27(21-23-40(35)47)28-22-24-41-36(26-28)34-17-10-16-33-30-13-4-5-15-32(30)42-44(48(41)43(33)34)46-38-19-8-7-18-37(38)45-42/h1-30H;1-28H;1-26H
• InChIKey: KILNZYNMUOKHQE-UHFFFAOYSA-N
• XLogP: 36.24
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.32
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene?

The IUPAC name of 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene (CID 159144068) is 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene.

What is the SMILES notation for 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene?

The canonical SMILES for 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5nc6ccccc6nc5-c5ccccc5-7)ccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cccc6c4n5-c4nc5ccccc5nc4-c4ccccc4-6)ccc32)cc1.c1ccc2c(c1)-c1nc3ccccc3nc1-n1c3ccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc3c3cccc-2c31.

What is the InChIKey of 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene?

The InChIKey is KILNZYNMUOKHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C48H28N4.C44H26N4/c1-3-12-31(13-4-1)34-22-25-37-41-28-32(23-26-45(41)53(47(37)30-34)35-14-5-2-6-15-35)33-24-27-46-42(29-33)40-19-11-18-39-36-16-7-8-17-38(36)48-50(54(46)49(39)40)52-44-21-10-9-20-43(44)51-48;1-2-11-30-26-33(23-20-29(30)10-1)51-43-19-8-5-13-35(43)36-24-21-32(28-45(36)51)31-22-25-44-40(27-31)39-16-9-15-38-34-12-3-4-14-37(34)46-48(52(44)47(38)39)50-42-18-7-6-17-41(42)49-46;1-2-11-29(12-3-1)47-39-20-9-6-14-31(39)35-25-27(21-23-40(35)47)28-22-24-41-36(26-28)34-17-10-16-33-30-13-4-5-15-32(30)42-44(48(41)43(33)34)46-38-19-8-7-18-37(38)45-42/h1-30H;1-28H;1-26H.

What are the key properties of 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene?

25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene has a molecular weight of 1958.32 g/mol, XLogP of 36.24, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene is sourced from PubChem (CID 159144068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).