25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene

C134H81N5S — CID 159073311

About 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene

25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 159073311) has the molecular formula C134H81N5S and a molecular weight of 1793.22 g/mol. Its IUPAC name is 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
• PubChem CID: 159073311
• Molecular Formula: C134H81N5S
• Molecular Weight: 1793.22 g/mol
• Exact Mass: 1791.62
• IUPAC Name: 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
• SMILES: c1ccc2c(c1)ccc1c3c4ccccc4c4ccccc4c3n(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c21.c1ccc2cc(-n3c4ccccc4c4cc(-n5c6cc7ccccc7cc6c6c7ccccc7c7ccccc7c65)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7c7ccccc7c65)ccc43)ccc2c1
• InChI: InChI=1S/2C46H28N2.C42H25NS/c1-2-13-31-27-32(23-21-29(31)11-1)47-41-20-10-9-17-37(41)40-28-33(24-26-42(40)47)48-43-25-22-30-12-3-4-14-34(30)44(43)45-38-18-7-5-15-35(38)36-16-6-8-19-39(36)46(45)48;1-2-12-30-25-33(22-21-29(30)11-1)47-42-20-10-9-17-37(42)40-28-34(23-24-43(40)47)48-44-27-32-14-4-3-13-31(32)26-41(44)45-38-18-7-5-15-35(38)36-16-6-8-19-39(36)46(45)48;1-2-10-30-27(9-1)19-23-36-40-34-14-5-3-11-31(34)32-12-4-6-15-35(32)42(40)43(41(30)36)29-21-17-26(18-22-29)28-20-24-39-37(25-28)33-13-7-8-16-38(33)44-39/h2*1-28H;1-25H
• InChIKey: JZXZWIBMFAMLRM-UHFFFAOYSA-N
• XLogP: 37.27
• TPSA: 24.65 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1793.22
LogP ≤ 5	37.27
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 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The IUPAC name of 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene (CID 159073311) is 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene.

What is the SMILES notation for 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The canonical SMILES for 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene is c1ccc2c(c1)ccc1c3c4ccccc4c4ccccc4c3n(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c21.c1ccc2cc(-n3c4ccccc4c4cc(-n5c6cc7ccccc7cc6c6c7ccccc7c7ccccc7c65)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7c7ccccc7c65)ccc43)ccc2c1.

What is the InChIKey of 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

The InChIKey is JZXZWIBMFAMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2.C42H25NS/c1-2-13-31-27-32(23-21-29(31)11-1)47-41-20-10-9-17-37(41)40-28-33(24-26-42(40)47)48-43-25-22-30-12-3-4-14-34(30)44(43)45-38-18-7-5-15-35(38)36-16-6-8-19-39(36)46(45)48;1-2-12-30-25-33(22-21-29(30)11-1)47-42-20-10-9-17-37(42)40-28-34(23-24-43(40)47)48-44-27-32-14-4-3-13-31(32)26-41(44)45-38-18-7-5-15-35(38)36-16-6-8-19-39(36)46(45)48;1-2-10-30-27(9-1)19-23-36-40-34-14-5-3-11-31(34)32-12-4-6-15-35(32)42(40)43(41(30)36)29-21-17-26(18-22-29)28-20-24-39-37(25-28)33-13-7-8-16-38(33)44-39/h2*1-28H;1-25H.

What are the key properties of 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene?

25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 1793.22 g/mol, XLogP of 37.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4-dibenzothiophen-2-ylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-naphthalen-2-ylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 159073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).