6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

C102H124N2 — CID 154592998

About 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 154592998) has the molecular formula C102H124N2 and a molecular weight of 1378.13 g/mol. Its IUPAC name is 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

• Compound Name: 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
• PubChem CID: 154592998
• Molecular Formula: C102H124N2
• Molecular Weight: 1378.13 g/mol
• Exact Mass: 1376.98
• IUPAC Name: 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccccc3-c3ccc4c(c3)C3CCCC4CC3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2-c2ccc4c(c2)C2CCCC4CC2)cc1C3(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C102H124N2/c1-5-9-13-17-21-35-65-101(66-36-22-18-14-10-6-2)95-71-83(103(81-45-27-25-28-46-81)99-51-33-31-49-87(99)79-57-61-85-75-41-39-43-77(55-53-75)91(85)69-79)59-63-89(95)93-74-98-94(73-97(93)101)90-64-60-84(72-96(90)102(98,67-37-23-19-15-11-7-3)68-38-24-20-16-12-8-4)104(82-47-29-26-30-48-82)100-52-34-32-50-88(100)80-58-62-86-76-42-40-44-78(56-54-76)92(86)70-80/h25-34,45-52,57-64,69-78H,5-24,35-44,53-56,65-68H2,1-4H3
• InChIKey: JPNHXAPNCFETMO-UHFFFAOYSA-N
• XLogP: 31.79
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 36
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1378.13
LogP ≤ 5	31.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?

The IUPAC name of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (CID 154592998) is 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

What is the SMILES notation for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?

The canonical SMILES for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccccc3-c3ccc4c(c3)C3CCCC4CC3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2-c2ccc4c(c2)C2CCCC4CC2)cc1C3(CCCCCCCC)CCCCCCCC.

What is the InChIKey of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?

The InChIKey is JPNHXAPNCFETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H124N2/c1-5-9-13-17-21-35-65-101(66-36-22-18-14-10-6-2)95-71-83(103(81-45-27-25-28-46-81)99-51-33-31-49-87(99)79-57-61-85-75-41-39-43-77(55-53-75)91(85)69-79)59-63-89(95)93-74-98-94(73-97(93)101)90-64-60-84(72-96(90)102(98,67-37-23-19-15-11-7-3)68-38-24-20-16-12-8-4)104(82-47-29-26-30-48-82)100-52-34-32-50-88(100)80-58-62-86-76-42-40-44-78(56-54-76)92(86)70-80/h25-34,45-52,57-64,69-78H,5-24,35-44,53-56,65-68H2,1-4H3.

What are the key properties of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?

6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 1378.13 g/mol, XLogP of 31.79, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis[2-(4-tricyclo[6.3.2.02,7]trideca-2(7),3,5-trienyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 154592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).