N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine

C69H49NS — CID 168802427

IUPACN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H49NS/c1-68(2,3)49-34-29-44(30-35-49)47-32-38-63(56(41-47)45-17-5-4-6-18-45)70(64-39-31-46-19-7-8-20-51(46)67(64)48-33-40-66-58(42-48)55-24-12-16-28-65(55)71-66)50-36-37-62-57(43-50)54-23-11-15-27-61(54)69(62)59-25-13-9-21-52(59)53-22-10-14-26-60(53)69/h4-43H,1-3H3
InChIKeyIGPRMPXXNVHDDL-UHFFFAOYSA-N
MW924.23 g/mol
LogP19.32
Rot. Bonds6

About N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168802427) has the molecular formula C69H49NS and a molecular weight of 924.23 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID168802427
Molecular FormulaC69H49NS
Molecular Weight924.23 g/mol
Exact Mass923.36
IUPAC NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H49NS/c1-68(2,3)49-34-29-44(30-35-49)47-32-38-63(56(41-47)45-17-5-4-6-18-45)70(64-39-31-46-19-7-8-20-51(46)67(64)48-33-40-66-58(42-48)55-24-12-16-28-65(55)71-66)50-36-37-62-57(43-50)54-23-11-15-27-61(54)69(62)59-25-13-9-21-52(59)53-22-10-14-26-60(53)69/h4-43H,1-3H3
InChIKeyIGPRMPXXNVHDDL-UHFFFAOYSA-N
XLogP19.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.23
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]dibenzothiophen-2-amine
CID 168801734
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802490
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
8-tert-butyl-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-spiro[benzo[b]fluorene-11,9'-fluorene]-3-yldibenzothiophen-3-amine
CID 168801844
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802401
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168801942
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802173

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine (CID 168802427) is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is IGPRMPXXNVHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49NS/c1-68(2,3)49-34-29-44(30-35-49)47-32-38-63(56(41-47)45-17-5-4-6-18-45)70(64-39-31-46-19-7-8-20-51(46)67(64)48-33-40-66-58(42-48)55-24-12-16-28-65(55)71-66)50-36-37-62-57(43-50)54-23-11-15-27-61(54)69(62)59-25-13-9-21-52(59)53-22-10-14-26-60(53)69/h4-43H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 924.23 g/mol, XLogP of 19.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168802427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).