N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline

C51H37NO — CID 168839762

IUPACN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-31-25-37(32-45(46)43-30-24-38(33-47(43)51)34-12-5-3-6-13-34)35-20-26-40(27-21-35)52(39-14-7-4-8-15-39)41-28-22-36(23-29-41)42-17-11-19-49-50(42)44-16-9-10-18-48(44)53-49/h3-33H,1-2H3
InChIKeyGJIFJSRUFYXJHK-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline

N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline (PubChem CID 168839762) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
PubChem CID168839762
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-31-25-37(32-45(46)43-30-24-38(33-47(43)51)34-12-5-3-6-13-34)35-20-26-40(27-21-35)52(39-14-7-4-8-15-39)41-28-22-36(23-29-41)42-17-11-19-49-50(42)44-16-9-10-18-48(44)53-49/h3-33H,1-2H3
InChIKeyGJIFJSRUFYXJHK-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
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)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
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-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline (CID 168839762) is N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline is CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline?
The InChIKey is GJIFJSRUFYXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)46-31-25-37(32-45(46)43-30-24-38(33-47(43)51)34-12-5-3-6-13-34)35-20-26-40(27-21-35)52(39-14-7-4-8-15-39)41-28-22-36(23-29-41)42-17-11-19-49-50(42)44-16-9-10-18-48(44)53-49/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline?
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline is sourced from PubChem (CID 168839762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).