2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]

C49H34 — CID 154395257

IUPAC2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]
SMILESC1=CC2(C3=Cc4cc(-c5ccccc5)ccc4C3=C1)C1=C(C=CC2(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C49H34/c1-5-14-34(15-6-1)36-23-25-42-38(30-36)32-46-44(42)22-13-28-49(46)47-33-39-31-37(35-16-7-2-8-17-35)24-26-43(39)45(47)27-29-48(49,40-18-9-3-10-19-40)41-20-11-4-12-21-41/h1-32H,33H2
InChIKeyAVRAJUPAJFAGEG-UHFFFAOYSA-N
MW622.81 g/mol
LogP11.92
Rot. Bonds4

About 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]

2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene] (PubChem CID 154395257) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene].

Molecular Properties

Compound Name2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]
PubChem CID154395257
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]
SMILESC1=CC2(C3=Cc4cc(-c5ccccc5)ccc4C3=C1)C1=C(C=CC2(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C49H34/c1-5-14-34(15-6-1)36-23-25-42-38(30-36)32-46-44(42)22-13-28-49(46)47-33-39-31-37(35-16-7-2-8-17-35)24-26-43(39)45(47)27-29-48(49,40-18-9-3-10-19-40)41-20-11-4-12-21-41/h1-32H,33H2
InChIKeyAVRAJUPAJFAGEG-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133567
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133775
3,9,9-triphenylfluorene
CID 140844354
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
1,1,2-triphenylindene
CID 102483924
2,5-diphenyl-1H-indene;zirconium(2+);dichloride
CID 175286821
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]?
The IUPAC name of 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene] (CID 154395257) is 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene].
What is the SMILES notation for 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]?
The canonical SMILES for 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene] is C1=CC2(C3=Cc4cc(-c5ccccc5)ccc4C3=C1)C1=C(C=CC2(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]?
The InChIKey is AVRAJUPAJFAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-5-14-34(15-6-1)36-23-25-42-38(30-36)32-46-44(42)22-13-28-49(46)47-33-39-31-37(35-16-7-2-8-17-35)24-26-43(39)45(47)27-29-48(49,40-18-9-3-10-19-40)41-20-11-4-12-21-41/h1-32H,33H2.
What are the key properties of 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]?
2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene] has a molecular weight of 622.81 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene] is sourced from PubChem (CID 154395257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).