N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C56H39NO — CID 169022239

IUPACN-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H39NO/c1-56(49-26-13-11-23-46(49)47-24-12-14-27-50(47)56)51-28-15-25-48-54-52(29-16-30-53(54)58-55(48)51)57(44-33-31-41(32-34-44)38-17-5-2-6-18-38)45-36-42(39-19-7-3-8-20-39)35-43(37-45)40-21-9-4-10-22-40/h2-37H,1H3
InChIKeyQPZPSAJNHFSBCE-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.39
Rot. Bonds7

About N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169022239) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID169022239
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H39NO/c1-56(49-26-13-11-23-46(49)47-24-12-14-27-50(47)56)51-28-15-25-48-54-52(29-16-30-53(54)58-55(48)51)57(44-33-31-41(32-34-44)38-17-5-2-6-18-38)45-36-42(39-19-7-3-8-20-39)35-43(37-45)40-21-9-4-10-22-40/h2-37H,1H3
InChIKeyQPZPSAJNHFSBCE-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022464
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-4-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022152
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022196
N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 169022239) is N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is QPZPSAJNHFSBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-56(49-26-13-11-23-46(49)47-24-12-14-27-50(47)56)51-28-15-25-48-54-52(29-16-30-53(54)58-55(48)51)57(44-33-31-41(32-34-44)38-17-5-2-6-18-38)45-36-42(39-19-7-3-8-20-39)35-43(37-45)40-21-9-4-10-22-40/h2-37H,1H3.
What are the key properties of N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 741.93 g/mol, XLogP of 15.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169022239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).