N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine

C58H49NO — CID 168840146

IUPACN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc1-2
InChIInChI=1S/C58H49NO/c1-56(2,3)39-24-30-46-48-33-38(23-32-50(48)58(6,7)51(46)34-39)36-19-25-40(26-20-36)59(42-29-31-45-44-13-8-10-16-49(44)57(4,5)52(45)35-42)41-27-21-37(22-28-41)43-15-12-18-54-55(43)47-14-9-11-17-53(47)60-54/h8-35H,1-7H3
InChIKeyPKBXAXCLUBKCDK-UHFFFAOYSA-N
MW776.04 g/mol
LogP16.30
Rot. Bonds5

About N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 168840146) has the molecular formula C58H49NO and a molecular weight of 776.04 g/mol. Its IUPAC name is N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID168840146
Molecular FormulaC58H49NO
Molecular Weight776.04 g/mol
Exact Mass775.38
IUPAC NameN-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc1-2
InChIInChI=1S/C58H49NO/c1-56(2,3)39-24-30-46-48-33-38(23-32-50(48)58(6,7)51(46)34-39)36-19-25-40(26-20-36)59(42-29-31-45-44-13-8-10-16-49(44)57(4,5)52(45)35-42)41-27-21-37(22-28-41)43-15-12-18-54-55(43)47-14-9-11-17-53(47)60-54/h8-35H,1-7H3
InChIKeyPKBXAXCLUBKCDK-UHFFFAOYSA-N
XLogP16.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
CID 170217743
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 168840146) is N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc1-2.
What is the InChIKey of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is PKBXAXCLUBKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49NO/c1-56(2,3)39-24-30-46-48-33-38(23-32-50(48)58(6,7)51(46)34-39)36-19-25-40(26-20-36)59(42-29-31-45-44-13-8-10-16-49(44)57(4,5)52(45)35-42)41-27-21-37(22-28-41)43-15-12-18-54-55(43)47-14-9-11-17-53(47)60-54/h8-35H,1-7H3.
What are the key properties of N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 776.04 g/mol, XLogP of 16.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168840146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).