4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide

C47H44N2O2 — CID 3404404

IUPAC4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C3(c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C47H44N2O2/c1-45(2,3)33-19-15-31(16-20-33)43(50)48-37-27-23-35(24-28-37)47(41-13-9-7-11-39(41)40-12-8-10-14-42(40)47)36-25-29-38(30-26-36)49-44(51)32-17-21-34(22-18-32)46(4,5)6/h7-30H,1-6H3,(H,48,50)(H,49,51)
InChIKeyKBDQRDUBHGVUNC-UHFFFAOYSA-N
MW668.88 g/mol
LogP11.15
Rot. Bonds6

About 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide

4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide (PubChem CID 3404404) has the molecular formula C47H44N2O2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
PubChem CID3404404
Molecular FormulaC47H44N2O2
Molecular Weight668.88 g/mol
Exact Mass668.34
IUPAC Name4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C3(c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C47H44N2O2/c1-45(2,3)33-19-15-31(16-20-33)43(50)48-37-27-23-35(24-28-37)47(41-13-9-7-11-39(41)40-12-8-10-14-42(40)47)36-25-29-38(30-26-36)49-44(51)32-17-21-34(22-18-32)46(4,5)6/h7-30H,1-6H3,(H,48,50)(H,49,51)
InChIKeyKBDQRDUBHGVUNC-UHFFFAOYSA-N
XLogP11.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 511.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 17350672
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
3-(2-phenoxyethoxy)-N-[4-[9-[4-[[3-(2-phenoxyethoxy)benzoyl]amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 4955553
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500
5-[2-[4-carboxy-3-(2,2-dimethylpropanoyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]carbamoyl]benzoic acid
CID 134501830
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 159463242
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide (CID 3404404) is 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C3(c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide?
The InChIKey is KBDQRDUBHGVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44N2O2/c1-45(2,3)33-19-15-31(16-20-33)43(50)48-37-27-23-35(24-28-37)47(41-13-9-7-11-39(41)40-12-8-10-14-42(40)47)36-25-29-38(30-26-36)49-44(51)32-17-21-34(22-18-32)46(4,5)6/h7-30H,1-6H3,(H,48,50)(H,49,51).
What are the key properties of 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide?
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide has a molecular weight of 668.88 g/mol, XLogP of 11.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide is sourced from PubChem (CID 3404404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).