N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline

C53H49NO — CID 156556107

IUPACN,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3oc3c5c(cc(-c6ccccc6)c34)C(C)(C)c3ccccc3-5)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C53H49NO/c1-51(2,3)36-23-29-39(30-24-36)54(40-31-25-37(26-32-40)52(4,5)6)38-27-21-35(22-28-38)41-18-14-19-43-47-44(34-15-10-9-11-16-34)33-46-48(50(47)55-49(41)43)42-17-12-13-20-45(42)53(46,7)8/h9-33H,1-8H3
InChIKeyYGUBKBYBBFMPOJ-UHFFFAOYSA-N
MW715.98 g/mol
LogP15.29
Rot. Bonds5

About N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline

N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline (PubChem CID 156556107) has the molecular formula C53H49NO and a molecular weight of 715.98 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
PubChem CID156556107
Molecular FormulaC53H49NO
Molecular Weight715.98 g/mol
Exact Mass715.38
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3oc3c5c(cc(-c6ccccc6)c34)C(C)(C)c3ccccc3-5)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C53H49NO/c1-51(2,3)36-23-29-39(30-24-36)54(40-31-25-37(26-32-40)52(4,5)6)38-27-21-35(22-28-38)41-18-14-19-43-47-44(34-15-10-9-11-16-34)33-46-48(50(47)55-49(41)43)42-17-12-13-20-45(42)53(46,7)8/h9-33H,1-8H3
InChIKeyYGUBKBYBBFMPOJ-UHFFFAOYSA-N
XLogP15.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.98
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522
7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146645660
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
CID 158018181
N-(4-tert-butylphenyl)-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801672
N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284394
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline (CID 156556107) is N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3oc3c5c(cc(-c6ccccc6)c34)C(C)(C)c3ccccc3-5)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline?
The InChIKey is YGUBKBYBBFMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49NO/c1-51(2,3)36-23-29-39(30-24-36)54(40-31-25-37(26-32-40)52(4,5)6)38-27-21-35(22-28-38)41-18-14-19-43-47-44(34-15-10-9-11-16-34)33-46-48(50(47)55-49(41)43)42-17-12-13-20-45(42)53(46,7)8/h9-33H,1-8H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline?
N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline has a molecular weight of 715.98 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline is sourced from PubChem (CID 156556107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).