7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine

C86H64N2 — CID 59246115

About 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine

7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine (PubChem CID 59246115) has the molecular formula C86H64N2 and a molecular weight of 1125.47 g/mol. Its IUPAC name is 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
• PubChem CID: 59246115
• Molecular Formula: C86H64N2
• Molecular Weight: 1125.47 g/mol
• Exact Mass: 1124.51
• IUPAC Name: 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)ccc5-6)cc4)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C86H64N2/c1-85(2)81-49-59(29-45-77(81)79-47-43-75(55-83(79)85)87(71-39-35-61-13-5-9-17-67(61)51-71)72-40-36-62-14-6-10-18-68(62)52-72)23-21-57-25-31-65(32-26-57)66-33-27-58(28-34-66)22-24-60-30-46-78-80-48-44-76(56-84(80)86(3,4)82(78)50-60)88(73-41-37-63-15-7-11-19-69(63)53-73)74-42-38-64-16-8-12-20-70(64)54-74/h5-56H,1-4H3/b23-21+,24-22+
• InChIKey: REPZELWGFIUIDK-MBALSZOMSA-N
• XLogP: 23.86
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1125.47
LogP ≤ 5	23.86
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 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine?

The IUPAC name of 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine (CID 59246115) is 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)ccc5-6)cc4)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21.

What is the InChIKey of 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine?

The InChIKey is REPZELWGFIUIDK-MBALSZOMSA-N. The full InChI is InChI=1S/C86H64N2/c1-85(2)81-49-59(29-45-77(81)79-47-43-75(55-83(79)85)87(71-39-35-61-13-5-9-17-67(61)51-71)72-40-36-62-14-6-10-18-68(62)52-72)23-21-57-25-31-65(32-26-57)66-33-27-58(28-34-66)22-24-60-30-46-78-80-48-44-76(56-84(80)86(3,4)82(78)50-60)88(73-41-37-63-15-7-11-19-69(63)53-73)74-42-38-64-16-8-12-20-70(64)54-74/h5-56H,1-4H3/b23-21+,24-22+.

What are the key properties of 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine?

7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine has a molecular weight of 1125.47 g/mol, XLogP of 23.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 59246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).