9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C59H34N4 — CID 167410885

About 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 167410885) has the molecular formula C59H34N4 and a molecular weight of 798.95 g/mol. Its IUPAC name is 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 167410885
• Molecular Formula: C59H34N4
• Molecular Weight: 798.95 g/mol
• Exact Mass: 798.28
• IUPAC Name: 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cc5ccc6cccc7c8cccc9ccc%10cccc(c(c4)c5c67)c%10c98)c4ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C59H34N4/c1-2-13-38(14-3-1)57-60-58(62-59(61-57)63-51-25-8-6-20-44(51)45-21-7-9-26-52(45)63)49-32-31-41(42-18-4-5-19-43(42)49)40-33-39-30-29-37-16-11-23-47-46-22-10-15-35-27-28-36-17-12-24-48(55(36)53(35)46)50(34-40)56(39)54(37)47/h1-34H/b47-46-,50-48-
• InChIKey: MJDXZIROWRNHDA-LVNYTZHFSA-N
• XLogP: 15.48
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.95
LogP ≤ 5	15.48
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 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 167410885) is 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cc5ccc6cccc7c8cccc9ccc%10cccc(c(c4)c5c67)c%10c98)c4ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The InChIKey is MJDXZIROWRNHDA-LVNYTZHFSA-N. The full InChI is InChI=1S/C59H34N4/c1-2-13-38(14-3-1)57-60-58(62-59(61-57)63-51-25-8-6-20-44(51)45-21-7-9-26-52(45)63)49-32-31-41(42-18-4-5-19-43(42)49)40-33-39-30-29-37-16-11-23-47-46-22-10-15-35-27-28-36-17-12-24-48(55(36)53(35)46)50(34-40)56(39)54(37)47/h1-34H/b47-46-,50-48-.

What are the key properties of 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 798.95 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 167410885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).