N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C49H33NO — CID 163667046

IUPACN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)50(37-20-8-3-9-21-37)45-28-14-24-41-47-44(27-15-29-46(47)51-48(41)45)49(36-18-6-2-7-19-36)42-25-12-10-22-39(42)40-23-11-13-26-43(40)49/h1-33H
InChIKeyWGNIRDXEOUICEU-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.09
Rot. Bonds6

About N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 163667046) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID163667046
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c34)cc2)cc1
InChIInChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)50(37-20-8-3-9-21-37)45-28-14-24-41-47-44(27-15-29-46(47)51-48(41)45)49(36-18-6-2-7-19-36)42-25-12-10-22-39(42)40-23-11-13-26-43(40)49/h1-33H
InChIKeyWGNIRDXEOUICEU-UHFFFAOYSA-N
XLogP13.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
7-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163827200
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 163988419
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163630205

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 163667046) is N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c34)cc2)cc1.
What is the InChIKey of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is WGNIRDXEOUICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)50(37-20-8-3-9-21-37)45-28-14-24-41-47-44(27-15-29-46(47)51-48(41)45)49(36-18-6-2-7-19-36)42-25-12-10-22-39(42)40-23-11-13-26-43(40)49/h1-33H.
What are the key properties of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 651.81 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 163667046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).