2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]

C49H32 — CID 140831168

IUPAC2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C49H32/c1-3-13-33(14-4-1)38-29-39(34-15-5-2-6-16-34)31-40(30-38)36-25-23-35(24-26-36)37-27-28-44-43-19-9-12-22-47(43)49(48(44)32-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h1-32H
InChIKeyYQPFNXRJLHJPOH-UHFFFAOYSA-N
MW620.80 g/mol
LogP12.70
Rot. Bonds4

About 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 140831168) has the molecular formula C49H32 and a molecular weight of 620.80 g/mol. Its IUPAC name is 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID140831168
Molecular FormulaC49H32
Molecular Weight620.80 g/mol
Exact Mass620.25
IUPAC Name2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C49H32/c1-3-13-33(14-4-1)38-29-39(34-15-5-2-6-16-34)31-40(30-38)36-25-23-35(24-26-36)37-27-28-44-43-19-9-12-22-47(43)49(48(44)32-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h1-32H
InChIKeyYQPFNXRJLHJPOH-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 158891851
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene] (CID 140831168) is 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c2)cc1.
What is the InChIKey of 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is YQPFNXRJLHJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32/c1-3-13-33(14-4-1)38-29-39(34-15-5-2-6-16-34)31-40(30-38)36-25-23-35(24-26-36)37-27-28-44-43-19-9-12-22-47(43)49(48(44)32-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h1-32H.
What are the key properties of 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]?
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 620.80 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140831168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).