N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine

C53H37NO — CID 177280624

IUPACN-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)46-25-12-10-23-42(46)43-28-27-38(33-47(43)53)54(37-19-14-18-35(31-37)34-15-4-3-5-16-34)48-29-30-50-52(44-24-11-13-26-49(44)55-50)51(48)45-32-36-17-6-7-20-39(36)40-21-8-9-22-41(40)45/h3-33H,1-2H3
InChIKeyYUSYNAFBXVIWJL-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177280624) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID177280624
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)46-25-12-10-23-42(46)43-28-27-38(33-47(43)53)54(37-19-14-18-35(31-37)34-15-4-3-5-16-34)48-29-30-50-52(44-24-11-13-26-49(44)55-50)51(48)45-32-36-17-6-7-20-39(36)40-21-8-9-22-41(40)45/h3-33H,1-2H3
InChIKeyYUSYNAFBXVIWJL-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177274751
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yldibenzofuran-2-amine
CID 177280608
N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177281179
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 177280624) is N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is YUSYNAFBXVIWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)46-25-12-10-23-42(46)43-28-27-38(33-47(43)53)54(37-19-14-18-35(31-37)34-15-4-3-5-16-34)48-29-30-50-52(44-24-11-13-26-49(44)55-50)51(48)45-32-36-17-6-7-20-39(36)40-21-8-9-22-41(40)45/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).