N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine

C59H41NO — CID 177274863

IUPACN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)53-24-12-10-21-48(53)49-33-32-43(37-54(49)59)60(42-30-27-38(28-31-42)40-29-34-57-51(35-40)50-22-11-13-26-56(50)61-57)55-25-14-23-45(39-15-4-3-5-16-39)58(55)52-36-41-17-6-7-18-44(41)46-19-8-9-20-47(46)52/h3-37H,1-2H3
InChIKeyYOOAPFRCQITXGP-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine (PubChem CID 177274863) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
PubChem CID177274863
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)53-24-12-10-21-48(53)49-33-32-43(37-54(49)59)60(42-30-27-38(28-31-42)40-29-34-57-51(35-40)50-22-11-13-26-56(50)61-57)55-25-14-23-45(39-15-4-3-5-16-39)58(55)52-36-41-17-6-7-18-44(41)46-19-8-9-20-47(46)52/h3-37H,1-2H3
InChIKeyYOOAPFRCQITXGP-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
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-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 177274472
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964245
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine (CID 177274863) is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccccc4)c3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine?
The InChIKey is YOOAPFRCQITXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)53-24-12-10-21-48(53)49-33-32-43(37-54(49)59)60(42-30-27-38(28-31-42)40-29-34-57-51(35-40)50-22-11-13-26-56(50)61-57)55-25-14-23-45(39-15-4-3-5-16-39)58(55)52-36-41-17-6-7-18-44(41)46-19-8-9-20-47(46)52/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177274863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).