N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine

C70H66N4 — CID 59246471

About N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine

N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine (PubChem CID 59246471) has the molecular formula C70H66N4 and a molecular weight of 963.33 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
• PubChem CID: 59246471
• Molecular Formula: C70H66N4
• Molecular Weight: 963.33 g/mol
• Exact Mass: 962.53
• IUPAC Name: N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C(C)(C)C)cc7)c7ccccn7)ccc5-6)cc4)ccc2-3)c2ccccn2)cc1
• InChI: InChI=1S/C70H66N4/c1-67(2,3)51-27-31-53(32-28-51)73(65-15-11-13-41-71-65)55-35-39-59-57-37-25-49(43-61(57)69(7,8)63(59)45-55)23-21-47-17-19-48(20-18-47)22-24-50-26-38-58-60-40-36-56(46-64(60)70(9,10)62(58)44-50)74(66-16-12-14-42-72-66)54-33-29-52(30-34-54)68(4,5)6/h11-46H,1-10H3/b23-21+,24-22+
• InChIKey: UHUHBBGENARZCN-MBALSZOMSA-N
• XLogP: 18.96
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.33
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?

The IUPAC name of N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine (CID 59246471) is N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C(C)(C)C)cc7)c7ccccn7)ccc5-6)cc4)ccc2-3)c2ccccn2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?

The InChIKey is UHUHBBGENARZCN-MBALSZOMSA-N. The full InChI is InChI=1S/C70H66N4/c1-67(2,3)51-27-31-53(32-28-51)73(65-15-11-13-41-71-65)55-35-39-59-57-37-25-49(43-61(57)69(7,8)63(59)45-55)23-21-47-17-19-48(20-18-47)22-24-50-26-38-58-60-40-36-56(46-64(60)70(9,10)62(58)44-50)74(66-16-12-14-42-72-66)54-33-29-52(30-34-54)68(4,5)6/h11-46H,1-10H3/b23-21+,24-22+.

What are the key properties of N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?

N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine has a molecular weight of 963.33 g/mol, XLogP of 18.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine is sourced from PubChem (CID 59246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).