N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C55H45NO — CID 176781185

IUPACN-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NO/c1-54(2,3)50-33-40(38-19-21-39(22-20-38)41-25-30-47-46-16-10-12-18-52(46)57-53(47)34-41)26-32-51(50)56(42-27-23-37(24-28-42)36-13-7-6-8-14-36)43-29-31-45-44-15-9-11-17-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3
InChIKeyMUFXLMMGLKVXCI-UHFFFAOYSA-N
MW735.97 g/mol
LogP15.66
Rot. Bonds6

About N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176781185) has the molecular formula C55H45NO and a molecular weight of 735.97 g/mol. Its IUPAC name is N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID176781185
Molecular FormulaC55H45NO
Molecular Weight735.97 g/mol
Exact Mass735.35
IUPAC NameN-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H45NO/c1-54(2,3)50-33-40(38-19-21-39(22-20-38)41-25-30-47-46-16-10-12-18-52(46)57-53(47)34-41)26-32-51(50)56(42-27-23-37(24-28-42)36-13-7-6-8-14-36)43-29-31-45-44-15-9-11-17-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3
InChIKeyMUFXLMMGLKVXCI-UHFFFAOYSA-N
XLogP15.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.97
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176781189
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964459
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 176781185) is N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MUFXLMMGLKVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO/c1-54(2,3)50-33-40(38-19-21-39(22-20-38)41-25-30-47-46-16-10-12-18-52(46)57-53(47)34-41)26-32-51(50)56(42-27-23-37(24-28-42)36-13-7-6-8-14-36)43-29-31-45-44-15-9-11-17-48(44)55(4,5)49(45)35-43/h6-35H,1-5H3.
What are the key properties of N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 735.97 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176781185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).