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

C73H60N2 — CID 58883844

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

2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine (PubChem CID 58883844) has the molecular formula C73H60N2 and a molecular weight of 965.30 g/mol. Its IUPAC name is 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
• PubChem CID: 58883844
• Molecular Formula: C73H60N2
• Molecular Weight: 965.30 g/mol
• Exact Mass: 964.48
• IUPAC Name: 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(/C=C/c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C73H60N2/c1-71(2)65-23-15-13-21-59(65)61-41-37-55(45-67(61)71)74(53-33-29-51(30-34-53)27-25-49-17-9-7-10-18-49)57-39-43-63-64-44-40-58(48-70(64)73(5,6)69(63)47-57)75(54-35-31-52(32-36-54)28-26-50-19-11-8-12-20-50)56-38-42-62-60-22-14-16-24-66(60)72(3,4)68(62)46-56/h7-48H,1-6H3/b27-25+,28-26+
• InChIKey: FNCWNOFHOBZKPT-NBHCHVEOSA-N
• XLogP: 19.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.30
LogP ≤ 5	19.89
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 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine (CID 58883844) is 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine.

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

The canonical SMILES for 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(/C=C/c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21.

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

The InChIKey is FNCWNOFHOBZKPT-NBHCHVEOSA-N. The full InChI is InChI=1S/C73H60N2/c1-71(2)65-23-15-13-21-59(65)61-41-37-55(45-67(61)71)74(53-33-29-51(30-34-53)27-25-49-17-9-7-10-18-49)57-39-43-63-64-44-40-58(48-70(64)73(5,6)69(63)47-57)75(54-35-31-52(32-36-54)28-26-50-19-11-8-12-20-50)56-38-42-62-60-22-14-16-24-66(60)72(3,4)68(62)46-56/h7-48H,1-6H3/b27-25+,28-26+.

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

2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine has a molecular weight of 965.30 g/mol, XLogP of 19.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 58883844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).