3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C56H35N5 — CID 144875981

About 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 144875981) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

• Compound Name: 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 144875981
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: C1=CNCC(c2cc3ccc4cccc5c4c3c(c2)n5-c2ccc3c(c2)c2cc(-n4c5cccc6ccc7cc(-c8cccnc8)cc4c7c65)ccc2n3-c2ccccc2)=C1
• InChI: InChI=1S/C56H35N5/c1-2-12-42(13-3-1)59-47-22-20-43(60-49-14-4-8-34-16-18-36-26-40(38-10-6-24-57-32-38)28-51(60)55(36)53(34)49)30-45(47)46-31-44(21-23-48(46)59)61-50-15-5-9-35-17-19-37-27-41(39-11-7-25-58-33-39)29-52(61)56(37)54(35)50/h1-32,58H,33H2
• InChIKey: DEFNBXPELNCEJT-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 39.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The IUPAC name of 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 144875981) is 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

What is the SMILES notation for 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The canonical SMILES for 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is C1=CNCC(c2cc3ccc4cccc5c4c3c(c2)n5-c2ccc3c(c2)c2cc(-n4c5cccc6ccc7cc(-c8cccnc8)cc4c7c65)ccc2n3-c2ccccc2)=C1.

What is the InChIKey of 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The InChIKey is DEFNBXPELNCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-12-42(13-3-1)59-47-22-20-43(60-49-14-4-8-34-16-18-36-26-40(38-10-6-24-57-32-38)28-51(60)55(36)53(34)49)30-45(47)46-31-44(21-23-48(46)59)61-50-15-5-9-35-17-19-37-27-41(39-11-7-25-58-33-39)29-52(61)56(37)54(35)50/h1-32,58H,33H2.

What are the key properties of 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 777.93 g/mol, XLogP of 13.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,2-dihydropyridin-3-yl)-15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 144875981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).