(9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C106H84N2S2 — CID 138514264

About (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine

(9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 138514264) has the molecular formula C106H84N2S2 and a molecular weight of 1449.99 g/mol. Its IUPAC name is (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 138514264
• Molecular Formula: C106H84N2S2
• Molecular Weight: 1449.99 g/mol
• Exact Mass: 1448.61
• IUPAC Name: (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(CSc2ccc([C@@]3(c4ccccc4)c4ccccc4C4(C)C=CC(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)[C@](c7ccccc7)(c7ccc(SCC9=CC(C)C(C=C)C=C9)cc7)c7ccccc7-8)cc6)cc5)=CC43)cc2)cc1
• InChI: InChI=1S/C106H84N2S2/c1-5-75-35-37-76(38-36-75)72-109-95-64-51-88(52-65-95)106(86-29-17-10-18-30-86)101-34-22-21-33-100(101)104(4)68-67-94(71-103(104)106)108(91-55-43-82(44-56-91)80-25-13-8-14-26-80)92-59-47-84(48-60-92)83-45-57-90(58-46-83)107(89-53-41-81(42-54-89)79-23-11-7-12-24-79)93-61-66-98-97-31-19-20-32-99(97)105(102(98)70-93,85-27-15-9-16-28-85)87-49-62-96(63-50-87)110-73-77-39-40-78(6-2)74(3)69-77/h5-71,74,78,103H,1-2,72-73H2,3-4H3/t74?,78?,103?,104?,105-,106+/m1/s1
• InChIKey: RRERYEPKPVIFRM-HFYFSEHJSA-N
• XLogP: 28.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1449.99
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 138514264) is (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(CSc2ccc([C@@]3(c4ccccc4)c4ccccc4C4(C)C=CC(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)[C@](c7ccccc7)(c7ccc(SCC9=CC(C)C(C=C)C=C9)cc7)c7ccccc7-8)cc6)cc5)=CC43)cc2)cc1.

What is the InChIKey of (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is RRERYEPKPVIFRM-HFYFSEHJSA-N. The full InChI is InChI=1S/C106H84N2S2/c1-5-75-35-37-76(38-36-75)72-109-95-64-51-88(52-65-95)106(86-29-17-10-18-30-86)101-34-22-21-33-100(101)104(4)68-67-94(71-103(104)106)108(91-55-43-82(44-56-91)80-25-13-8-14-26-80)92-59-47-84(48-60-92)83-45-57-90(58-46-83)107(89-53-41-81(42-54-89)79-23-11-7-12-24-79)93-61-66-98-97-31-19-20-32-99(97)105(102(98)70-93,85-27-15-9-16-28-85)87-49-62-96(63-50-87)110-73-77-39-40-78(6-2)74(3)69-77/h5-71,74,78,103H,1-2,72-73H2,3-4H3/t74?,78?,103?,104?,105-,106+/m1/s1.

What are the key properties of (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

(9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1449.99 g/mol, XLogP of 28.00, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (9R)-9-[4-[(4-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[(9R)-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-4a-methyl-9-phenyl-9aH-fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 138514264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).