2-(9-naphthalen-1-ylcarbazol-2-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 170651807

About 2-(9-naphthalen-1-ylcarbazol-2-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-2-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 170651807) has the molecular formula C70H44N4 and a molecular weight of 941.15 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylcarbazol-2-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-2-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: 170651807
• Molecular Formula: C70H44N4
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.36
• IUPAC Name: 2-(9-naphthalen-1-ylcarbazol-2-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(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)c6ccc7ccc8ccc5cc8c7c6)ccc43)cccc2c1
• InChI: InChI=1S/C70H44N4/c1-3-21-57-45(13-1)15-11-27-65(57)73-68-26-8-6-24-60(68)64-43-55(36-38-69(64)73)71-51-19-9-17-49(39-51)50-18-10-20-52(40-50)72(54-34-32-48-30-29-47-31-33-53(71)41-62(47)63(48)42-54)56-35-37-61-59-23-5-7-25-67(59)74(70(61)44-56)66-28-12-16-46-14-2-4-22-58(46)66/h1-44H
• InChIKey: UXAFYIXBGKZUNJ-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-2-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-2-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 170651807) is 2-(9-naphthalen-1-ylcarbazol-2-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-2-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-2-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(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)c6ccc7ccc8ccc5cc8c7c6)ccc43)cccc2c1.

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

What are the key properties of 2-(9-naphthalen-1-ylcarbazol-2-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-2-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-2-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 170651807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).