2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol

C53H43N3O — CID 166569488

IUPAC2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1ccc(N(c2cccc(-c3ccccn3)c2)c2ccc3c(n2)-c2c(O)cccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H43N3O/c1-33-30-37(52(3,4)5)31-34(2)49(33)35-23-25-38(26-24-35)56(39-15-12-14-36(32-39)46-21-10-11-29-54-46)48-28-27-45-51(55-48)50-44(20-13-22-47(50)57)53(45)42-18-8-6-16-40(42)41-17-7-9-19-43(41)53/h6-32,57H,1-5H3
InChIKeyYVVXOMPREFNBHI-UHFFFAOYSA-N
MW737.95 g/mol
LogP13.24
Rot. Bonds5

About 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol

2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol (PubChem CID 166569488) has the molecular formula C53H43N3O and a molecular weight of 737.95 g/mol. Its IUPAC name is 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol.

Molecular Properties

Compound Name2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
PubChem CID166569488
Molecular FormulaC53H43N3O
Molecular Weight737.95 g/mol
Exact Mass737.34
IUPAC Name2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1ccc(N(c2cccc(-c3ccccn3)c2)c2ccc3c(n2)-c2c(O)cccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H43N3O/c1-33-30-37(52(3,4)5)31-34(2)49(33)35-23-25-38(26-24-35)56(39-15-12-14-36(32-39)46-21-10-11-29-54-46)48-28-27-45-51(55-48)50-44(20-13-22-47(50)57)53(45)42-18-8-6-16-40(42)41-17-7-9-19-43(41)53/h6-32,57H,1-5H3
InChIKeyYVVXOMPREFNBHI-UHFFFAOYSA-N
XLogP13.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 513.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-ditert-butyl-2'-(N-(3,5-ditert-butylphenyl)-3-pyridin-2-ylanilino)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol
CID 166569530
2,7-ditert-butyl-2'-[3,5-di(propan-2-yl)-N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol;platinum
CID 166569501
4-tert-butyl-2-[3-(3,5-ditert-butyl-N-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]anilino)phenyl]phenol
CID 164731369
CID 118153657
CID 118153657
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
3-N-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(3-phenylphenyl)benzene-1,3,5-triamine
CID 177117432
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 167177836
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263
CID 129022934
CID 129022934

Frequently Asked Questions

What is the IUPAC name of 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol?
The IUPAC name of 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol (CID 166569488) is 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol.
What is the SMILES notation for 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol?
The canonical SMILES for 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol is Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(N(c2cccc(-c3ccccn3)c2)c2ccc3c(n2)-c2c(O)cccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol?
The InChIKey is YVVXOMPREFNBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3O/c1-33-30-37(52(3,4)5)31-34(2)49(33)35-23-25-38(26-24-35)56(39-15-12-14-36(32-39)46-21-10-11-29-54-46)48-28-27-45-51(55-48)50-44(20-13-22-47(50)57)53(45)42-18-8-6-16-40(42)41-17-7-9-19-43(41)53/h6-32,57H,1-5H3.
What are the key properties of 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol?
2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol has a molecular weight of 737.95 g/mol, XLogP of 13.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[4-(4-tert-butyl-2,6-dimethylphenyl)-N-(3-pyridin-2-ylphenyl)anilino]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-9'-ol is sourced from PubChem (CID 166569488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).