N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline

C51H37NO — CID 170139631

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-25-10-6-23-42(44)50-41(24-15-26-45(50)51)39-21-8-12-28-47(39)52(46-27-11-7-20-38(46)34-16-4-3-5-17-34)37-19-14-18-35(32-37)36-30-31-49-43(33-36)40-22-9-13-29-48(40)53-49/h3-33H,1-2H3
InChIKeyVGGMKVGSJBKSSE-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline

N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 170139631) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID170139631
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H37NO/c1-51(2)44-25-10-6-23-42(44)50-41(24-15-26-45(50)51)39-21-8-12-28-47(39)52(46-27-11-7-20-38(46)34-16-4-3-5-17-34)37-19-14-18-35(32-37)36-30-31-49-43(33-36)40-22-9-13-29-48(40)53-49/h3-33H,1-2H3
InChIKeyVGGMKVGSJBKSSE-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-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (CID 170139631) is N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is VGGMKVGSJBKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)44-25-10-6-23-42(44)50-41(24-15-26-45(50)51)39-21-8-12-28-47(39)52(46-27-11-7-20-38(46)34-16-4-3-5-17-34)37-19-14-18-35(32-37)36-30-31-49-43(33-36)40-22-9-13-29-48(40)53-49/h3-33H,1-2H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-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-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 170139631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).