8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine

C49H41NO — CID 176821836

IUPAC8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
SMILESCC(C)(C)c1ccc2oc3c4c(ccc3c2c1)-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1C4(C)C
InChIInChI=1S/C49H41NO/c1-48(2,3)36-20-29-45-43(30-36)42-28-27-41-40-26-25-39(31-44(40)49(4,5)46(41)47(42)51-45)50(37-21-16-34(17-22-37)32-12-8-6-9-13-32)38-23-18-35(19-24-38)33-14-10-7-11-15-33/h6-31H,1-5H3
InChIKeyRZSCGUPMLDCDNI-UHFFFAOYSA-N
MW659.87 g/mol
LogP13.99
Rot. Bonds5

About 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine

8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine (PubChem CID 176821836) has the molecular formula C49H41NO and a molecular weight of 659.87 g/mol. Its IUPAC name is 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
PubChem CID176821836
Molecular FormulaC49H41NO
Molecular Weight659.87 g/mol
Exact Mass659.32
IUPAC Name8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
SMILESCC(C)(C)c1ccc2oc3c4c(ccc3c2c1)-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1C4(C)C
InChIInChI=1S/C49H41NO/c1-48(2,3)36-20-29-45-43(30-36)42-28-27-41-40-26-25-39(31-44(40)49(4,5)46(41)47(42)51-45)50(37-21-16-34(17-22-37)32-12-8-6-9-13-32)38-23-18-35(19-24-38)33-14-10-7-11-15-33/h6-31H,1-5H3
InChIKeyRZSCGUPMLDCDNI-UHFFFAOYSA-N
XLogP13.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.87
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine with MolForge

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Related Compounds

3-tert-butyl-7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523172
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821725
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
CID 146647827
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
CID 176821802
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
2-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-amine
CID 176822062
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
CID 176821740
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The IUPAC name of 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine (CID 176821836) is 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine.
What is the SMILES notation for 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The canonical SMILES for 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine is CC(C)(C)c1ccc2oc3c4c(ccc3c2c1)-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1C4(C)C.
What is the InChIKey of 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The InChIKey is RZSCGUPMLDCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NO/c1-48(2,3)36-20-29-45-43(30-36)42-28-27-41-40-26-25-39(31-44(40)49(4,5)46(41)47(42)51-45)50(37-21-16-34(17-22-37)32-12-8-6-9-13-32)38-23-18-35(19-24-38)33-14-10-7-11-15-33/h6-31H,1-5H3.
What are the key properties of 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine has a molecular weight of 659.87 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine is sourced from PubChem (CID 176821836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).