2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene

C70H44N4 — CID 170652031

About 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene

2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene (PubChem CID 170652031) has the molecular formula C70H44N4 and a molecular weight of 941.15 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene.

Molecular Properties

• Compound Name: 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
• PubChem CID: 170652031
• Molecular Formula: C70H44N4
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.36
• IUPAC Name: 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
• SMILES: c1ccc2c(-n3c4ccccc4c4cc(-n5c6cccc(c6)c6cccc(c6)n(-c6cccc7c8ccccc8n(-c8cccc9ccccc89)c67)c6ccc7ccc8ccc5cc8c7c6)ccc43)cccc2c1
• InChI: InChI=1S/C70H44N4/c1-3-22-56-45(14-1)16-11-29-64(56)73-66-27-7-6-25-59(66)63-44-54(38-39-68(63)73)71-51-20-9-18-49(40-51)50-19-10-21-52(41-50)72(55-37-35-48-33-32-47-34-36-53(71)42-61(47)62(48)43-55)69-31-13-26-60-58-24-5-8-28-67(58)74(70(60)69)65-30-12-17-46-15-2-4-23-57(46)65/h1-44H
• InChIKey: YUSJDPIHSJKVBG-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.15
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene?

The IUPAC name of 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene (CID 170652031) is 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene.

What is the SMILES notation for 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene?

The canonical SMILES for 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene is c1ccc2c(-n3c4ccccc4c4cc(-n5c6cccc(c6)c6cccc(c6)n(-c6cccc7c8ccccc8n(-c8cccc9ccccc89)c67)c6ccc7ccc8ccc5cc8c7c6)ccc43)cccc2c1.

What is the InChIKey of 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene?

The InChIKey is YUSJDPIHSJKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4/c1-3-22-56-45(14-1)16-11-29-64(56)73-66-27-7-6-25-59(66)63-44-54(38-39-68(63)73)71-51-20-9-18-49(40-51)50-19-10-21-52(41-50)72(55-37-35-48-33-32-47-34-36-53(71)42-61(47)62(48)43-55)69-31-13-26-60-58-24-5-8-28-67(58)74(70(60)69)65-30-12-17-46-15-2-4-23-57(46)65/h1-44H.

What are the key properties of 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene?

2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene has a molecular weight of 941.15 g/mol, XLogP of 18.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene is sourced from PubChem (CID 170652031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).