N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline

C55H45NO — CID 170141284

IUPACN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C55H45NO/c1-54(2,3)38-31-34-44-47(35-38)55(4,5)46-24-15-23-43(52(44)46)42-20-10-13-26-49(42)56(48-25-12-9-19-40(48)36-17-7-6-8-18-36)39-32-29-37(30-33-39)41-22-16-28-51-53(41)45-21-11-14-27-50(45)57-51/h6-35H,1-5H3
InChIKeyOTXIKFUWSAAVHE-UHFFFAOYSA-N
MW735.97 g/mol
LogP15.66
Rot. Bonds6

About N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline (PubChem CID 170141284) has the molecular formula C55H45NO and a molecular weight of 735.97 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
PubChem CID170141284
Molecular FormulaC55H45NO
Molecular Weight735.97 g/mol
Exact Mass735.35
IUPAC NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C55H45NO/c1-54(2,3)38-31-34-44-47(35-38)55(4,5)46-24-15-23-43(52(44)46)42-20-10-13-26-49(42)56(48-25-12-9-19-40(48)36-17-7-6-8-18-36)39-32-29-37(30-33-39)41-22-16-28-51-53(41)45-21-11-14-27-50(45)57-51/h6-35H,1-5H3
InChIKeyOTXIKFUWSAAVHE-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

5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162254274
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
5-tert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
CID 176822011

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline (CID 170141284) is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)c1-2.
What is the InChIKey of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline?
The InChIKey is OTXIKFUWSAAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO/c1-54(2,3)38-31-34-44-47(35-38)55(4,5)46-24-15-23-43(52(44)46)42-20-10-13-26-49(42)56(48-25-12-9-19-40(48)36-17-7-6-8-18-36)39-32-29-37(30-33-39)41-22-16-28-51-53(41)45-21-11-14-27-50(45)57-51/h6-35H,1-5H3.
What are the key properties of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline?
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline 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-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 170141284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).