6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine

C106H86N2 — CID 138666941

About 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine

6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine (PubChem CID 138666941) has the molecular formula C106H86N2 and a molecular weight of 1387.87 g/mol. Its IUPAC name is 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine.

Molecular Properties

• Compound Name: 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine
• PubChem CID: 138666941
• Molecular Formula: C106H86N2
• Molecular Weight: 1387.87 g/mol
• Exact Mass: 1386.68
• IUPAC Name: 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine
• SMILES: Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1N(c1ccccc1)c1cc2c3ccccc3c(N(c3ccccc3)c3c(C)cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)cc3C)cc2c2ccccc12
• InChI: InChI=1S/C106H86N2/c1-63-51-73(71-43-49-85-83-47-41-69(57-95(83)105(9,10)97(85)59-71)67-39-45-81-79-33-23-25-37-91(79)103(5,6)93(81)55-67)52-64(2)101(63)107(75-27-15-13-16-28-75)99-61-89-78-32-20-22-36-88(78)100(62-90(89)77-31-19-21-35-87(77)99)108(76-29-17-14-18-30-76)102-65(3)53-74(54-66(102)4)72-44-50-86-84-48-42-70(58-96(84)106(11,12)98(86)60-72)68-40-46-82-80-34-24-26-38-92(80)104(7,8)94(82)56-68/h13-62H,1-12H3
• InChIKey: LJXAUISLOQODPI-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1387.87
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine?

The IUPAC name of 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine (CID 138666941) is 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine.

What is the SMILES notation for 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine?

The canonical SMILES for 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)cc(C)c1N(c1ccccc1)c1cc2c3ccccc3c(N(c3ccccc3)c3c(C)cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)cc3C)cc2c2ccccc12.

What is the InChIKey of 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine?

The InChIKey is LJXAUISLOQODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H86N2/c1-63-51-73(71-43-49-85-83-47-41-69(57-95(83)105(9,10)97(85)59-71)67-39-45-81-79-33-23-25-37-91(79)103(5,6)93(81)55-67)52-64(2)101(63)107(75-27-15-13-16-28-75)99-61-89-78-32-20-22-36-88(78)100(62-90(89)77-31-19-21-35-87(77)99)108(76-29-17-14-18-30-76)102-65(3)53-74(54-66(102)4)72-44-50-86-84-48-42-70(58-96(84)106(11,12)98(86)60-72)68-40-46-82-80-34-24-26-38-92(80)104(7,8)94(82)56-68/h13-62H,1-12H3.

What are the key properties of 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine?

6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine has a molecular weight of 1387.87 g/mol, XLogP of 29.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,12-N-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-6-N,12-N-diphenylchrysene-6,12-diamine is sourced from PubChem (CID 138666941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).