2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine

C43H39NO — CID 156635050

IUPAC2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C21c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccoc21
InChIInChI=1S/C43H39NO/c1-41(2,3)28-18-22-37-36(25-28)34-20-17-29(42(4,5)6)26-38(34)43(37)39-27-32(19-21-33(39)35-23-24-45-40(35)43)44(30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-27H,1-6H3
InChIKeyUFJARHXASQKSHX-UHFFFAOYSA-N
MW585.79 g/mol
LogP11.69
Rot. Bonds3

About 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine

2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine (PubChem CID 156635050) has the molecular formula C43H39NO and a molecular weight of 585.79 g/mol. Its IUPAC name is 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
PubChem CID156635050
Molecular FormulaC43H39NO
Molecular Weight585.79 g/mol
Exact Mass585.30
IUPAC Name2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C21c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccoc21
InChIInChI=1S/C43H39NO/c1-41(2,3)28-18-22-37-36(25-28)34-20-17-29(42(4,5)6)26-38(34)43(37)39-27-32(19-21-33(39)35-23-24-45-40(35)43)44(30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-27H,1-6H3
InChIKeyUFJARHXASQKSHX-UHFFFAOYSA-N
XLogP11.69
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.79
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine with MolForge

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Related Compounds

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
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067137
5-[9-[3,5-bis(N-phenylanilino)phenyl]-2,7-ditert-butylfluoren-9-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58141937
2,7-ditert-butyl-N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 156635059
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 59718361
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The IUPAC name of 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine (CID 156635050) is 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine.
What is the SMILES notation for 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The canonical SMILES for 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine is CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C21c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccoc21.
What is the InChIKey of 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The InChIKey is UFJARHXASQKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39NO/c1-41(2,3)28-18-22-37-36(25-28)34-20-17-29(42(4,5)6)26-38(34)43(37)39-27-32(19-21-33(39)35-23-24-45-40(35)43)44(30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-27H,1-6H3.
What are the key properties of 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine has a molecular weight of 585.79 g/mol, XLogP of 11.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N,N-diphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine is sourced from PubChem (CID 156635050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).