N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine

C82H62N2O — CID 177287756

About N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine

N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine (PubChem CID 177287756) has the molecular formula C82H62N2O and a molecular weight of 1091.41 g/mol. Its IUPAC name is N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine
• PubChem CID: 177287756
• Molecular Formula: C82H62N2O
• Molecular Weight: 1091.41 g/mol
• Exact Mass: 1090.49
• IUPAC Name: N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine
• SMILES: Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)cc4)c(C)c3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C82H62N2O/c1-49-27-37-62-64-40-34-56(47-74(64)80(4,5)72(62)43-49)83(57-35-41-65-63-38-28-50(2)44-73(63)81(6,7)75(65)48-57)54-33-39-58(51(3)45-54)52-29-31-53(32-30-52)84(76-24-16-26-78-79(76)66-20-11-15-25-77(66)85-78)55-36-42-71-67(46-55)61-19-10-14-23-70(61)82(71)68-21-12-8-17-59(68)60-18-9-13-22-69(60)82/h8-48H,1-7H3
• InChIKey: NZSKKOMZMGFOFC-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.41
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine?

The IUPAC name of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine (CID 177287756) is N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine.

What is the SMILES notation for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine?

The canonical SMILES for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)cc4)c(C)c3)c3ccc4c(c3)C(C)(C)c3cc(C)ccc3-4)ccc1-2.

What is the InChIKey of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine?

The InChIKey is NZSKKOMZMGFOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N2O/c1-49-27-37-62-64-40-34-56(47-74(64)80(4,5)72(62)43-49)83(57-35-41-65-63-38-28-50(2)44-73(63)81(6,7)75(65)48-57)54-33-39-58(51(3)45-54)52-29-31-53(32-30-52)84(76-24-16-26-78-79(76)66-20-11-15-25-77(66)85-78)55-36-42-71-67(46-55)61-19-10-14-23-70(61)82(71)68-21-12-8-17-59(68)60-18-9-13-22-69(60)82/h8-48H,1-7H3.

What are the key properties of N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine?

N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine has a molecular weight of 1091.41 g/mol, XLogP of 22.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 177287756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).