2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

C53H45NO — CID 156635059

IUPAC2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1oc1ccccc21
InChIInChI=1S/C53H45NO/c1-51(2,3)36-24-27-41-42-28-25-37(52(4,5)6)32-46(42)53(45(41)31-36)47-33-40(26-29-43(47)49-44-22-13-14-23-48(44)55-50(49)53)54(38-19-11-8-12-20-38)39-21-15-18-35(30-39)34-16-9-7-10-17-34/h7-33H,1-6H3
InChIKeyVLQFVVMWVNSIEX-UHFFFAOYSA-N
MW711.95 g/mol
LogP14.51
Rot. Bonds4

About 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine

2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (PubChem CID 156635059) has the molecular formula C53H45NO and a molecular weight of 711.95 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
PubChem CID156635059
Molecular FormulaC53H45NO
Molecular Weight711.95 g/mol
Exact Mass711.35
IUPAC Name2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1oc1ccccc21
InChIInChI=1S/C53H45NO/c1-51(2,3)36-24-27-41-42-28-25-37(52(4,5)6)32-46(42)53(45(41)31-36)47-33-40(26-29-43(47)49-44-22-13-14-23-48(44)55-50(49)53)54(38-19-11-8-12-20-38)39-21-15-18-35(30-39)34-16-9-7-10-17-34/h7-33H,1-6H3
InChIKeyVLQFVVMWVNSIEX-UHFFFAOYSA-N
XLogP14.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.95
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
CID 134551319
4-N-[3'-[4-[4-(3,5-diphenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylanilino)phenyl]phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134554868
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-naphthalen-2-yl-N-(4-phenylphenyl)-3'-[2-(N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylanilino)-9,9'-spirobi[fluorene]-4'-yl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine
CID 134555021
2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529749

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The IUPAC name of 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine (CID 156635059) is 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine.
What is the SMILES notation for 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The canonical SMILES for 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1oc1ccccc21.
What is the InChIKey of 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
The InChIKey is VLQFVVMWVNSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45NO/c1-51(2,3)36-24-27-41-42-28-25-37(52(4,5)6)32-46(42)53(45(41)31-36)47-33-40(26-29-43(47)49-44-22-13-14-23-48(44)55-50(49)53)54(38-19-11-8-12-20-38)39-21-15-18-35(30-39)34-16-9-7-10-17-34/h7-33H,1-6H3.
What are the key properties of 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine?
2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine has a molecular weight of 711.95 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine is sourced from PubChem (CID 156635059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).