2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline

C70H50N4 — CID 58881028

About 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline

2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (PubChem CID 58881028) has the molecular formula C70H50N4 and a molecular weight of 947.20 g/mol. Its IUPAC name is 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.

Molecular Properties

• Compound Name: 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
• PubChem CID: 58881028
• Molecular Formula: C70H50N4
• Molecular Weight: 947.20 g/mol
• Exact Mass: 946.40
• IUPAC Name: 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ncc9ccccc9n8)c7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cccc(-c4ncc5ccccc5n4)c3)cc21
• InChI: InChI=1S/C70H50N4/c1-69(2)61-37-49(27-31-57(61)59-33-29-51(39-63(59)69)47-13-9-15-53(35-47)67-71-41-55-11-5-7-17-65(55)73-67)45-23-19-43(20-24-45)44-21-25-46(26-22-44)50-28-32-58-60-34-30-52(40-64(60)70(3,4)62(58)38-50)48-14-10-16-54(36-48)68-72-42-56-12-6-8-18-66(56)74-68/h5-42H,1-4H3
• InChIKey: ARXCLFXKRKKYRO-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.20
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?

The IUPAC name of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (CID 58881028) is 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.

What is the SMILES notation for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?

The canonical SMILES for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ncc9ccccc9n8)c7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3cccc(-c4ncc5ccccc5n4)c3)cc21.

What is the InChIKey of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?

The InChIKey is ARXCLFXKRKKYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N4/c1-69(2)61-37-49(27-31-57(61)59-33-29-51(39-63(59)69)47-13-9-15-53(35-47)67-71-41-55-11-5-7-17-65(55)73-67)45-23-19-43(20-24-45)44-21-25-46(26-22-44)50-28-32-58-60-34-30-52(40-64(60)70(3,4)62(58)38-50)48-14-10-16-54(36-48)68-72-42-56-12-6-8-18-66(56)74-68/h5-42H,1-4H3.

What are the key properties of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?

2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline has a molecular weight of 947.20 g/mol, XLogP of 17.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is sourced from PubChem (CID 58881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).