2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]

C51H32 — CID 140710700

IUPAC2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C51H32/c1-2-11-34-28-38(21-20-33(34)10-1)40-25-24-39-30-37(22-23-41(39)31-40)35-12-9-13-36(29-35)42-26-27-46-45-16-5-8-19-49(45)51(50(46)32-42)47-17-6-3-14-43(47)44-15-4-7-18-48(44)51/h1-32H
InChIKeyGTTILEMUHSZQOJ-UHFFFAOYSA-N
MW644.82 g/mol
LogP13.34
Rot. Bonds3

About 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]

2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 140710700) has the molecular formula C51H32 and a molecular weight of 644.82 g/mol. Its IUPAC name is 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID140710700
Molecular FormulaC51H32
Molecular Weight644.82 g/mol
Exact Mass644.25
IUPAC Name2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C51H32/c1-2-11-34-28-38(21-20-33(34)10-1)40-25-24-39-30-37(22-23-41(39)31-40)35-12-9-13-36(29-35)42-26-27-46-45-16-5-8-19-49(45)51(50(46)32-42)47-17-6-3-14-43(47)44-15-4-7-18-48(44)51/h1-32H
InChIKeyGTTILEMUHSZQOJ-UHFFFAOYSA-N
XLogP13.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene] (CID 140710700) is 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene] is c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1.
What is the InChIKey of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is GTTILEMUHSZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32/c1-2-11-34-28-38(21-20-33(34)10-1)40-25-24-39-30-37(22-23-41(39)31-40)35-12-9-13-36(29-35)42-26-27-46-45-16-5-8-19-49(45)51(50(46)32-42)47-17-6-3-14-43(47)44-15-4-7-18-48(44)51/h1-32H.
What are the key properties of 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]?
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 644.82 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).