2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]

C50H34 — CID 155616798

IUPAC2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-3-13-34(14-4-1)35-23-27-38(28-24-35)49(37-15-5-2-6-16-37)39-29-25-36(26-30-39)40-31-32-44-43-19-9-12-22-47(43)50(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)50/h1-33,49H
InChIKeyQWOHJJPSNPTGCJ-UHFFFAOYSA-N
MW634.82 g/mol
LogP12.54
Rot. Bonds5

About 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]

2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 155616798) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID155616798
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-3-13-34(14-4-1)35-23-27-38(28-24-35)49(37-15-5-2-6-16-37)39-29-25-36(26-30-39)40-31-32-44-43-19-9-12-22-47(43)50(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)50/h1-33,49H
InChIKeyQWOHJJPSNPTGCJ-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 177494395
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
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
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
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168

Frequently Asked Questions

What is the IUPAC name of 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene] (CID 155616798) is 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2ccc(C(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is QWOHJJPSNPTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-3-13-34(14-4-1)35-23-27-38(28-24-35)49(37-15-5-2-6-16-37)39-29-25-36(26-30-39)40-31-32-44-43-19-9-12-22-47(43)50(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)50/h1-33,49H.
What are the key properties of 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]?
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 634.82 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 155616798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).