N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

C63H43NO — CID 177274472

IUPACN-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C63H43NO/c1-63(2)57-26-11-9-22-51(57)52-35-34-45(39-58(52)63)64(44-32-29-41(30-33-44)47-24-13-17-40-15-3-5-18-46(40)47)59-27-14-25-54(55-37-42-16-4-6-19-48(42)49-20-7-8-21-50(49)55)62(59)43-31-36-61-56(38-43)53-23-10-12-28-60(53)65-61/h3-39H,1-2H3
InChIKeyINOWAXMZNQKFLM-UHFFFAOYSA-N
MW830.04 g/mol
LogP17.82
Rot. Bonds6

About N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 177274472) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID177274472
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC NameN-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C63H43NO/c1-63(2)57-26-11-9-22-51(57)52-35-34-45(39-58(52)63)64(44-32-29-41(30-33-44)47-24-13-17-40-15-3-5-18-46(40)47)59-27-14-25-54(55-37-42-16-4-6-19-48(42)49-20-7-8-21-50(49)55)62(59)43-31-36-61-56(38-43)53-23-10-12-28-60(53)65-61/h3-39H,1-2H3
InChIKeyINOWAXMZNQKFLM-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 517.82
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-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
2-dibenzofuran-2-yl-3-(9,9-dimethylfluoren-1-yl)-N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170665631
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171727220
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 170140187

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (CID 177274472) is N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is INOWAXMZNQKFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-63(2)57-26-11-9-22-51(57)52-35-34-45(39-58(52)63)64(44-32-29-41(30-33-44)47-24-13-17-40-15-3-5-18-46(40)47)59-27-14-25-54(55-37-42-16-4-6-19-48(42)49-20-7-8-21-50(49)55)62(59)43-31-36-61-56(38-43)53-23-10-12-28-60(53)65-61/h3-39H,1-2H3.
What are the key properties of N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 830.04 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 177274472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).