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

C53H32BrNO — CID 176633906

IUPACN-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C53H32BrNO/c54-35-26-28-40-38-17-6-9-20-43(38)53(45(40)31-35)44-21-10-7-18-39(44)41-29-27-36(32-46(41)53)55(47-22-12-24-50-52(47)42-19-8-11-23-49(42)56-50)48-30-25-33-13-4-5-16-37(33)51(48)34-14-2-1-3-15-34/h1-32H
InChIKeyDLHVWBFBUDSIPM-UHFFFAOYSA-N
MW778.75 g/mol
LogP14.98
Rot. Bonds4

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

N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine (PubChem CID 176633906) has the molecular formula C53H32BrNO and a molecular weight of 778.75 g/mol. Its IUPAC name is N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
PubChem CID176633906
Molecular FormulaC53H32BrNO
Molecular Weight778.75 g/mol
Exact Mass777.17
IUPAC NameN-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C53H32BrNO/c54-35-26-28-40-38-17-6-9-20-43(38)53(45(40)31-35)44-21-10-7-18-39(44)41-29-27-36(32-46(41)53)55(47-22-12-24-50-52(47)42-19-8-11-23-49(42)56-50)48-30-25-33-13-4-5-16-37(33)51(48)34-14-2-1-3-15-34/h1-32H
InChIKeyDLHVWBFBUDSIPM-UHFFFAOYSA-N
XLogP14.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.75
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296074
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960

Frequently Asked Questions

What is the IUPAC name of N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine (CID 176633906) is N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The InChIKey is DLHVWBFBUDSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32BrNO/c54-35-26-28-40-38-17-6-9-20-43(38)53(45(40)31-35)44-21-10-7-18-39(44)41-29-27-36(32-46(41)53)55(47-22-12-24-50-52(47)42-19-8-11-23-49(42)56-50)48-30-25-33-13-4-5-16-37(33)51(48)34-14-2-1-3-15-34/h1-32H.
What are the key properties of N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine has a molecular weight of 778.75 g/mol, XLogP of 14.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176633906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).