9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine

C57H48N2 — CID 58883902

About 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine

9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine (PubChem CID 58883902) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
• PubChem CID: 58883902
• Molecular Formula: C57H48N2
• Molecular Weight: 761.03 g/mol
• Exact Mass: 760.38
• IUPAC Name: 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
• SMILES: Cc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccccc5)cc4)ccc2-3)cc1
• InChI: InChI=1S/C57H48N2/c1-41-15-27-47(28-16-41)58(49-31-23-45(24-32-49)21-19-43-11-7-5-8-12-43)51-35-37-53-54-38-36-52(40-56(54)57(3,4)55(53)39-51)59(48-29-17-42(2)18-30-48)50-33-25-46(26-34-50)22-20-44-13-9-6-10-14-44/h5-40H,1-4H3/b21-19+,22-20+
• InChIKey: PMALGYQNVZRESN-FLFKKZLDSA-N
• XLogP: 15.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.03
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine?

The IUPAC name of 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine (CID 58883902) is 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine.

What is the SMILES notation for 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine?

The canonical SMILES for 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine is Cc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(/C=C/c5ccccc5)cc4)ccc2-3)cc1.

What is the InChIKey of 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine?

The InChIKey is PMALGYQNVZRESN-FLFKKZLDSA-N. The full InChI is InChI=1S/C57H48N2/c1-41-15-27-47(28-16-41)58(49-31-23-45(24-32-49)21-19-43-11-7-5-8-12-43)51-35-37-53-54-38-36-52(40-56(54)57(3,4)55(53)39-51)59(48-29-17-42(2)18-30-48)50-33-25-46(26-34-50)22-20-44-13-9-6-10-14-44/h5-40H,1-4H3/b21-19+,22-20+.

What are the key properties of 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine?

9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine has a molecular weight of 761.03 g/mol, XLogP of 15.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 58883902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).