19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene

C125H76N8 — CID 159042734

About 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene

19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene (PubChem CID 159042734) has the molecular formula C125H76N8 and a molecular weight of 1690.04 g/mol. Its IUPAC name is 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 159042734
• Molecular Formula: C125H76N8
• Molecular Weight: 1690.04 g/mol
• Exact Mass: 1688.62
• IUPAC Name: 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene
• SMILES: c1cc(-c2cc3c4ccccc4n4c5ccccc5nc4c3c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(-c3ccc(-c4cc5c6ccccc6n6c7ccccc7nc6c5c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2cc3c4ccccc4n4c5ccccc5nc4c3c3ccccc23)cc1
• InChI: InChI=1S/C45H27N3.C41H25N3.C39H24N2/c1-2-12-31-28(11-1)23-26-42-43(31)35-16-6-9-19-40(35)47(42)30-24-21-29(22-25-30)36-27-37-33-14-5-8-18-39(33)48-41-20-10-7-17-38(41)46-45(48)44(37)34-15-4-3-13-32(34)36;1-2-18-32-28(14-1)33(25-34-31-17-5-9-22-38(31)44-39-23-10-6-19-35(39)42-41(44)40(32)34)26-12-11-13-27(24-26)43-36-20-7-3-15-29(36)30-16-4-8-21-37(30)43;1-2-12-28-25(10-1)11-9-16-29(28)26-20-22-27(23-21-26)33-24-34-31-14-5-7-18-36(31)41-37-19-8-6-17-35(37)40-39(41)38(34)32-15-4-3-13-30(32)33/h1-27H;1-25H;1-24H
• InChIKey: JWGQYRLGRIOEBO-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 61.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1690.04
LogP ≤ 5	33.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene (CID 159042734) is 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene is c1cc(-c2cc3c4ccccc4n4c5ccccc5nc4c3c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(-c3ccc(-c4cc5c6ccccc6n6c7ccccc7nc6c5c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2cc3c4ccccc4n4c5ccccc5nc4c3c3ccccc23)cc1.

What is the InChIKey of 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene?

The InChIKey is JWGQYRLGRIOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3.C41H25N3.C39H24N2/c1-2-12-31-28(11-1)23-26-42-43(31)35-16-6-9-19-40(35)47(42)30-24-21-29(22-25-30)36-27-37-33-14-5-8-18-39(33)48-41-20-10-7-17-38(41)46-45(48)44(37)34-15-4-3-13-32(34)36;1-2-18-32-28(14-1)33(25-34-31-17-5-9-22-38(31)44-39-23-10-6-19-35(39)42-41(44)40(32)34)26-12-11-13-27(24-26)43-36-20-7-3-15-29(36)30-16-4-8-21-37(30)43;1-2-12-28-25(10-1)11-9-16-29(28)26-20-22-27(23-21-26)33-24-34-31-14-5-7-18-36(31)41-37-19-8-6-17-35(37)40-39(41)38(34)32-15-4-3-13-30(32)33/h1-27H;1-25H;1-24H.

What are the key properties of 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene?

19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene has a molecular weight of 1690.04 g/mol, XLogP of 33.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4-benzo[c]carbazol-7-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(3-carbazol-9-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4-naphthalen-1-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 159042734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).