9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol

C46H42O — CID 101437640

IUPAC9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccccc3C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C46H42O/c1-43(2,3)31-25-23-30(24-26-31)33-28-27-32(44(4,5)6)29-42(33)46(47)41-22-14-10-18-37(41)36-17-9-13-21-40(36)45(46)38-19-11-7-15-34(38)35-16-8-12-20-39(35)45/h7-29,47H,1-6H3
InChIKeyNDMRHADFJZQAEZ-UHFFFAOYSA-N
MW610.84 g/mol
LogP11.18
Rot. Bonds2

About 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol

9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol (PubChem CID 101437640) has the molecular formula C46H42O and a molecular weight of 610.84 g/mol. Its IUPAC name is 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol.

Molecular Properties

Compound Name9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol
PubChem CID101437640
Molecular FormulaC46H42O
Molecular Weight610.84 g/mol
Exact Mass610.32
IUPAC Name9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccccc3C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C46H42O/c1-43(2,3)31-25-23-30(24-26-31)33-28-27-32(44(4,5)6)29-42(33)46(47)41-22-14-10-18-37(41)36-17-9-13-21-40(36)45(46)38-19-11-7-15-34(38)35-16-8-12-20-39(35)45/h7-29,47H,1-6H3
InChIKeyNDMRHADFJZQAEZ-UHFFFAOYSA-N
XLogP11.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.84
LogP ≤ 511.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2,7-ditert-butyl-9-[4-[4-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 11767814
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536

Frequently Asked Questions

What is the IUPAC name of 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol?
The IUPAC name of 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol (CID 101437640) is 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol.
What is the SMILES notation for 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol?
The canonical SMILES for 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2(O)c3ccccc3-c3ccccc3C23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol?
The InChIKey is NDMRHADFJZQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42O/c1-43(2,3)31-25-23-30(24-26-31)33-28-27-32(44(4,5)6)29-42(33)46(47)41-22-14-10-18-37(41)36-17-9-13-21-40(36)45(46)38-19-11-7-15-34(38)35-16-8-12-20-39(35)45/h7-29,47H,1-6H3.
What are the key properties of 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol?
9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol has a molecular weight of 610.84 g/mol, XLogP of 11.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]spiro[fluorene-9,10'-phenanthrene]-9'-ol is sourced from PubChem (CID 101437640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).