10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C69H53N5O2 — CID 146428509

About 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 146428509) has the molecular formula C69H53N5O2 and a molecular weight of 984.22 g/mol. Its IUPAC name is 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 146428509
• Molecular Formula: C69H53N5O2
• Molecular Weight: 984.22 g/mol
• Exact Mass: 983.42
• IUPAC Name: 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
• SMILES: C/C=C\C=C(/C)c1nc(C2=CCCCC2)nc(C2C=C(C3=Cc4oc5c(c4CC3)C=CC3C5c4cc#ccc4N3c3ccccc3)C=CC2c2ccc3c(c2)oc2c3ccc3c2c2ccccc2n3-c2ccccc2)n1
• InChI: InChI=1S/C69H53N5O2/c1-3-4-18-42(2)67-70-68(43-19-8-5-9-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-14-16-27-57(54)73(59)47-21-10-6-11-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-15-17-28-58(55)74(60)48-23-12-7-13-24-48/h3-4,6-7,10-13,15,17-19,21-29,31-32,34-41,49,56,59,63H,5,8-9,20,30,33H2,1-2H3/b4-3-,42-18+
• InChIKey: VSXNSVZCLOLBQF-IBCJVIODSA-N
• XLogP: 17.07
• TPSA: 73.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.22
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 146428509) is 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is C/C=C\C=C(/C)c1nc(C2=CCCCC2)nc(C2C=C(C3=Cc4oc5c(c4CC3)C=CC3C5c4cc#ccc4N3c3ccccc3)C=CC2c2ccc3c(c2)oc2c3ccc3c2c2ccccc2n3-c2ccccc2)n1.

What is the InChIKey of 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is VSXNSVZCLOLBQF-IBCJVIODSA-N. The full InChI is InChI=1S/C69H53N5O2/c1-3-4-18-42(2)67-70-68(43-19-8-5-9-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-14-16-27-57(54)73(59)47-21-10-6-11-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-15-17-28-58(55)74(60)48-23-12-7-13-24-48/h3-4,6-7,10-13,15,17-19,21-29,31-32,34-41,49,56,59,63H,5,8-9,20,30,33H2,1-2H3/b4-3-,42-18+.

What are the key properties of 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?

10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 984.22 g/mol, XLogP of 17.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-[4-(cyclohexen-1-yl)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-4-(5-phenyl-2,3-didehydro-5a,8,9,12b-tetrahydro-[1]benzofuro[3,2-c]carbazol-10-yl)cyclohexa-2,4-dien-1-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146428509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).