N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine

C61H37NO — CID 168811913

IUPACN-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3ccc(-c4cccc5ccccc45)c1c23
InChIInChI=1S/C61H37NO/c1-3-19-43-38(14-1)16-11-24-45(43)52-33-30-40-18-12-25-51-47-22-6-9-27-54(47)61(60(52)59(40)51)53-26-8-5-21-46(53)48-34-31-41(36-55(48)61)62(56-28-13-17-39-15-2-4-20-44(39)56)42-32-35-50-49-23-7-10-29-57(49)63-58(50)37-42/h1-37H
InChIKeyFLIRDGZHZGPVOG-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine

N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine (PubChem CID 168811913) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
PubChem CID168811913
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3ccc(-c4cccc5ccccc45)c1c23
InChIInChI=1S/C61H37NO/c1-3-19-43-38(14-1)16-11-24-45(43)52-33-30-40-18-12-25-51-47-22-6-9-27-54(47)61(60(52)59(40)51)53-26-8-5-21-46(53)48-34-31-41(36-55(48)61)62(56-28-13-17-39-15-2-4-20-44(39)56)42-32-35-50-49-23-7-10-29-57(49)63-58(50)37-42/h1-37H
InChIKeyFLIRDGZHZGPVOG-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

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Related Compounds

N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 168812212
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 168812017
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229710
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229394
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine (CID 168811913) is N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccccc2-c2cccc3ccc(-c4cccc5ccccc45)c1c23.
What is the InChIKey of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
The InChIKey is FLIRDGZHZGPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-3-19-43-38(14-1)16-11-24-45(43)52-33-30-40-18-12-25-51-47-22-6-9-27-54(47)61(60(52)59(40)51)53-26-8-5-21-46(53)48-34-31-41(36-55(48)61)62(56-28-13-17-39-15-2-4-20-44(39)56)42-32-35-50-49-23-7-10-29-57(49)63-58(50)37-42/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine?
N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-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-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine is sourced from PubChem (CID 168811913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).