N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

C61H37NO — CID 177280746

IUPACN-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C61H37NO/c1-2-16-40-36-41(30-28-38(40)14-1)62(42-31-33-49-48-20-7-11-26-54(48)61(55(49)37-42)52-24-9-5-18-46(52)47-19-6-10-25-53(47)61)56-34-35-58-60(51-21-8-12-27-57(51)63-58)59(56)50-23-13-22-44-43-17-4-3-15-39(43)29-32-45(44)50/h1-37H
InChIKeyBXAJJDKXBCGGIC-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (PubChem CID 177280746) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
PubChem CID177280746
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C61H37NO/c1-2-16-40-36-41(30-28-38(40)14-1)62(42-31-33-49-48-20-7-11-26-54(48)61(55(49)37-42)52-24-9-5-18-46(52)47-19-6-10-25-53(47)61)56-34-35-58-60(51-21-8-12-27-57(51)63-58)59(56)50-23-13-22-44-43-17-4-3-15-39(43)29-32-45(44)50/h1-37H
InChIKeyBXAJJDKXBCGGIC-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.97
LogP ≤ 516.53
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-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 177280598
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 177281319
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633873
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (CID 177280746) is N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4c3ccc3ccccc34)cc21.
What is the InChIKey of N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The InChIKey is BXAJJDKXBCGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-2-16-40-36-41(30-28-38(40)14-1)62(42-31-33-49-48-20-7-11-26-54(48)61(55(49)37-42)52-24-9-5-18-46(52)47-19-6-10-25-53(47)61)56-34-35-58-60(51-21-8-12-27-57(51)63-58)59(56)50-23-13-22-44-43-17-4-3-15-39(43)29-32-45(44)50/h1-37H.
What are the key properties of N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine has a molecular weight of 799.97 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 177280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).