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

C38H26 — CID 147357174

IUPAC4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C38H26/c1-2-11-27(12-3-1)28-23-21-26(22-24-28)25-29-13-10-20-36-37(29)32-16-6-9-19-35(32)38(36)33-17-7-4-14-30(33)31-15-5-8-18-34(31)38/h1-24H,25H2
InChIKeyDGNSHVDKLINOAX-UHFFFAOYSA-N
MW482.63 g/mol
LogP9.29
Rot. Bonds3

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

4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (PubChem CID 147357174) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
PubChem CID147357174
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C38H26/c1-2-11-27(12-3-1)28-23-21-26(22-24-28)25-29-13-10-20-36-37(29)32-16-6-9-19-35(32)38(36)33-17-7-4-14-30(33)31-15-5-8-18-34(31)38/h1-24H,25H2
InChIKeyDGNSHVDKLINOAX-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
5'-benzyl-9,9'-spirobi[fluorene]-1'-amine
CID 166668134
9,9-dimethyl-1-[(4-phenylphenyl)methyl]fluorene
CID 144558289
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
CID 129311002
5'-benzyl-3',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142480511
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063
CID 102532137
CID 102532137
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001

Frequently Asked Questions

What is the IUPAC name of 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (CID 147357174) is 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is c1ccc(-c2ccc(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The InChIKey is DGNSHVDKLINOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-2-11-27(12-3-1)28-23-21-26(22-24-28)25-29-13-10-20-36-37(29)32-16-6-9-19-35(32)38(36)33-17-7-4-14-30(33)31-15-5-8-18-34(31)38/h1-24H,25H2.
What are the key properties of 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] has a molecular weight of 482.63 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 147357174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).