2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane

C55H48 — CID 91153599

IUPAC2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C51H36.2C2H6/c1-33-13-17-37(18-14-33)41-23-27-45-46-28-24-42(38-19-15-34(2)16-20-38)32-50(46)51(49(45)31-41)47-29-39(35-9-5-3-6-10-35)21-25-43(47)44-26-22-40(30-48(44)51)36-11-7-4-8-12-36;2*1-2/h3-32H,1-2H3;2*1-2H3
InChIKeyITSJXXFPSJCYNO-UHFFFAOYSA-N
MW708.99 g/mol
LogP15.37
Rot. Bonds4

About 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane

2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane (PubChem CID 91153599) has the molecular formula C55H48 and a molecular weight of 708.99 g/mol. Its IUPAC name is 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane.

Molecular Properties

Compound Name2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
PubChem CID91153599
Molecular FormulaC55H48
Molecular Weight708.99 g/mol
Exact Mass708.38
IUPAC Name2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
SMILESCC.CC.Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C51H36.2C2H6/c1-33-13-17-37(18-14-33)41-23-27-45-46-28-24-42(38-19-15-34(2)16-20-38)32-50(46)51(49(45)31-41)47-29-39(35-9-5-3-6-10-35)21-25-43(47)44-26-22-40(30-48(44)51)36-11-7-4-8-12-36;2*1-2/h3-32H,1-2H3;2*1-2H3
InChIKeyITSJXXFPSJCYNO-UHFFFAOYSA-N
XLogP15.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.99
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2,2',7,7'-tetrakis[4-(3-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140757122
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 173227728
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane?
The IUPAC name of 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane (CID 91153599) is 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane.
What is the SMILES notation for 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane?
The canonical SMILES for 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane is CC.CC.Cc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane?
The InChIKey is ITSJXXFPSJCYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36.2C2H6/c1-33-13-17-37(18-14-33)41-23-27-45-46-28-24-42(38-19-15-34(2)16-20-38)32-50(46)51(49(45)31-41)47-29-39(35-9-5-3-6-10-35)21-25-43(47)44-26-22-40(30-48(44)51)36-11-7-4-8-12-36;2*1-2/h3-32H,1-2H3;2*1-2H3.
What are the key properties of 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane?
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane has a molecular weight of 708.99 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane is sourced from PubChem (CID 91153599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).