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

C118H94N2 — CID 138666683

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

6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine (PubChem CID 138666683) has the molecular formula C118H94N2 and a molecular weight of 1540.06 g/mol. Its IUPAC name is 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine.

Molecular Properties

• Compound Name: 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine
• PubChem CID: 138666683
• Molecular Formula: C118H94N2
• Molecular Weight: 1540.06 g/mol
• Exact Mass: 1538.74
• IUPAC Name: 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-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)c1-c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(-c5c(C)cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc6-7)cc5C)cc4)cc3c3ccccc23)cc1
• InChI: InChI=1S/C118H94N2/c1-71-59-83(81-47-57-97-95-55-45-79(65-107(95)117(9,10)109(97)67-81)77-43-53-93-91-33-23-25-37-103(91)115(5,6)105(93)63-77)60-72(2)113(71)75-39-49-87(50-40-75)119(85-27-15-13-16-28-85)111-69-101-90-32-20-22-36-100(90)112(70-102(101)89-31-19-21-35-99(89)111)120(86-29-17-14-18-30-86)88-51-41-76(42-52-88)114-73(3)61-84(62-74(114)4)82-48-58-98-96-56-46-80(66-108(96)118(11,12)110(98)68-82)78-44-54-94-92-34-24-26-38-104(92)116(7,8)106(94)64-78/h13-70H,1-12H3
• InChIKey: RTCMAXAWCSIHFK-UHFFFAOYSA-N
• XLogP: 32.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1540.06
LogP ≤ 5	32.55
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-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine?

The IUPAC name of 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine (CID 138666683) is 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine.

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

The canonical SMILES for 6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-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)c1-c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(-c5c(C)cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc6-7)cc5C)cc4)cc3c3ccccc23)cc1.

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

The InChIKey is RTCMAXAWCSIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H94N2/c1-71-59-83(81-47-57-97-95-55-45-79(65-107(95)117(9,10)109(97)67-81)77-43-53-93-91-33-23-25-37-103(91)115(5,6)105(93)63-77)60-72(2)113(71)75-39-49-87(50-40-75)119(85-27-15-13-16-28-85)111-69-101-90-32-20-22-36-100(90)112(70-102(101)89-31-19-21-35-99(89)111)120(86-29-17-14-18-30-86)88-51-41-76(42-52-88)114-73(3)61-84(62-74(114)4)82-48-58-98-96-56-46-80(66-108(96)118(11,12)110(98)68-82)78-44-54-94-92-34-24-26-38-104(92)116(7,8)106(94)64-78/h13-70H,1-12H3.

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

6-N,12-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine has a molecular weight of 1540.06 g/mol, XLogP of 32.55, 12 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-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-6-N,12-N-diphenylchrysene-6,12-diamine is sourced from PubChem (CID 138666683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).