6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

C57H41NO — CID 171730600

IUPAC6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1cc2ccccc2c2c1oc1c(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12
InChIInChI=1S/C57H41NO/c1-56(2,3)48-35-37-21-7-8-23-39(37)52-43-27-17-34-51(54(43)59-55(48)52)58(49-32-16-12-22-38(49)36-19-5-4-6-20-36)50-33-18-31-47-53(50)42-26-11-15-30-46(42)57(47)44-28-13-9-24-40(44)41-25-10-14-29-45(41)57/h4-35H,1-3H3
InChIKeyPSWVCHJARRXILS-UHFFFAOYSA-N
MW755.96 g/mol
LogP15.52
Rot. Bonds4

About 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 171730600) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID171730600
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC Name6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1cc2ccccc2c2c1oc1c(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12
InChIInChI=1S/C57H41NO/c1-56(2,3)48-35-37-21-7-8-23-39(37)52-43-27-17-34-51(54(43)59-55(48)52)58(49-32-16-12-22-38(49)36-19-5-4-6-20-36)50-33-18-31-47-53(50)42-26-11-15-30-46(42)57(47)44-28-13-9-24-40(44)41-25-10-14-29-45(41)57/h4-35H,1-3H3
InChIKeyPSWVCHJARRXILS-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444448
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N-(4-naphthalen-1-ylphenyl)-4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172544875
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 171730600) is 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is CC(C)(C)c1cc2ccccc2c2c1oc1c(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12.
What is the InChIKey of 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is PSWVCHJARRXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-56(2,3)48-35-37-21-7-8-23-39(37)52-43-27-17-34-51(54(43)59-55(48)52)58(49-32-16-12-22-38(49)36-19-5-4-6-20-36)50-33-18-31-47-53(50)42-26-11-15-30-46(42)57(47)44-28-13-9-24-40(44)41-25-10-14-29-45(41)57/h4-35H,1-3H3.
What are the key properties of 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 755.96 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 171730600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).