5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine

C51H37BrN2O — CID 122552103

IUPAC5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(Br)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21
InChIInChI=1S/C51H37BrN2O/c1-51(2)47-22-11-9-20-43(47)45-32-39(24-26-48(45)51)54(38-19-13-16-35(28-38)34-14-5-3-6-15-34)42-30-36(52)29-41(31-42)53(37-17-7-4-8-18-37)40-25-27-50-46(33-40)44-21-10-12-23-49(44)55-50/h3-33H,1-2H3
InChIKeyHMQORYWMJROKFE-UHFFFAOYSA-N
MW773.77 g/mol
LogP15.26
Rot. Bonds7

About 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine

5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine (PubChem CID 122552103) has the molecular formula C51H37BrN2O and a molecular weight of 773.77 g/mol. Its IUPAC name is 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
PubChem CID122552103
Molecular FormulaC51H37BrN2O
Molecular Weight773.77 g/mol
Exact Mass772.21
IUPAC Name5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(Br)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21
InChIInChI=1S/C51H37BrN2O/c1-51(2)47-22-11-9-20-43(47)45-32-39(24-26-48(45)51)54(38-19-13-16-35(28-38)34-14-5-3-6-15-34)42-30-36(52)29-41(31-42)53(37-17-7-4-8-18-37)40-25-27-50-46(33-40)44-21-10-12-23-49(44)55-50/h3-33H,1-2H3
InChIKeyHMQORYWMJROKFE-UHFFFAOYSA-N
XLogP15.26
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.77
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779052
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 159702533
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine (CID 122552103) is 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(Br)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21.
What is the InChIKey of 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine?
The InChIKey is HMQORYWMJROKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37BrN2O/c1-51(2)47-22-11-9-20-43(47)45-32-39(24-26-48(45)51)54(38-19-13-16-35(28-38)34-14-5-3-6-15-34)42-30-36(52)29-41(31-42)53(37-17-7-4-8-18-37)40-25-27-50-46(33-40)44-21-10-12-23-49(44)55-50/h3-33H,1-2H3.
What are the key properties of 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine?
5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine has a molecular weight of 773.77 g/mol, XLogP of 15.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 122552103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).