12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole

C108H70N12 — CID 163929816

About 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole

12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole (PubChem CID 163929816) has the molecular formula C108H70N12 and a molecular weight of 1535.83 g/mol. Its IUPAC name is 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 163929816
• Molecular Formula: C108H70N12
• Molecular Weight: 1535.83 g/mol
• Exact Mass: 1534.58
• IUPAC Name: 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole
• SMILES: C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3c(-c4ccc5c6cc(-c7nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)nc(-n8c9ccccc9c9cc%10c(cc98)c8ccccc8n%10-c8ccccc8)n7)ccc6n(-c6ccccc6)c5c4)cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1
• InChI: InChI=1S/C108H70N12/c1-3-30-67(4-2)103-109-104(70-33-12-6-13-34-70)112-108(111-103)120-94-50-29-24-45-83(94)100-84(64-89-81-44-23-27-48-92(81)118(101(89)102(100)120)77-56-51-69(52-57-77)68-31-10-5-11-32-68)71-53-58-82-86-62-73(55-60-96(86)117(97(82)63-71)76-39-18-9-19-40-76)106-110-105(72-54-59-95-85(61-72)78-41-20-25-46-90(78)115(95)74-35-14-7-15-36-74)113-107(114-106)119-93-49-28-22-43-80(93)88-65-98-87(66-99(88)119)79-42-21-26-47-91(79)116(98)75-37-16-8-17-38-75/h3-66H,1-2H3/b30-3-,67-4+
• InChIKey: RHTAEGJRHQODEK-QXWGXZAVSA-N
• XLogP: 26.95
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.83
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole (CID 163929816) is 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole is C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3c(-c4ccc5c6cc(-c7nc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)nc(-n8c9ccccc9c9cc%10c(cc98)c8ccccc8n%10-c8ccccc8)n7)ccc6n(-c6ccccc6)c5c4)cc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1.

What is the InChIKey of 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole?

The InChIKey is RHTAEGJRHQODEK-QXWGXZAVSA-N. The full InChI is InChI=1S/C108H70N12/c1-3-30-67(4-2)103-109-104(70-33-12-6-13-34-70)112-108(111-103)120-94-50-29-24-45-83(94)100-84(64-89-81-44-23-27-48-92(81)118(101(89)102(100)120)77-56-51-69(52-57-77)68-31-10-5-11-32-68)71-53-58-82-86-62-73(55-60-96(86)117(97(82)63-71)76-39-18-9-19-40-76)106-110-105(72-54-59-95-85(61-72)78-41-20-25-46-90(78)115(95)74-35-14-7-15-36-74)113-107(114-106)119-93-49-28-22-43-80(93)88-65-98-87(66-99(88)119)79-42-21-26-47-91(79)116(98)75-37-16-8-17-38-75/h3-66H,1-2H3/b30-3-,67-4+.

What are the key properties of 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole?

12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1535.83 g/mol, XLogP of 26.95, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-5-[9-phenyl-6-[4-(9-phenylcarbazol-3-yl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 163929816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).