N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine

C61H37NO — CID 164974952

IUPACN-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c4c(cccc24)C2(c4ccccc4-c4cccc5cccc2c45)c2cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)ccc2-3)cc1
InChIInChI=1S/C61H37NO/c1-2-14-38(15-3-1)43-34-35-51-46-32-30-41(62(56-28-12-17-39-16-4-5-20-44(39)56)42-31-33-48-47-22-7-9-29-57(47)63-58(48)37-42)36-55(46)61(54-27-13-24-49(43)60(51)54)52-25-8-6-21-45(52)50-23-10-18-40-19-11-26-53(61)59(40)50/h1-37H
InChIKeyVWIWZBBNLADOHQ-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine

N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine (PubChem CID 164974952) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
PubChem CID164974952
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c4c(cccc24)C2(c4ccccc4-c4cccc5cccc2c45)c2cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)ccc2-3)cc1
InChIInChI=1S/C61H37NO/c1-2-14-38(15-3-1)43-34-35-51-46-32-30-41(62(56-28-12-17-39-16-4-5-20-44(39)56)42-31-33-48-47-22-7-9-29-57(47)63-58(48)37-42)36-55(46)61(54-27-13-24-49(43)60(51)54)52-25-8-6-21-45(52)50-23-10-18-40-19-11-26-53(61)59(40)50/h1-37H
InChIKeyVWIWZBBNLADOHQ-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-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
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-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168811913
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 168812017
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811965
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463642
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine (CID 164974952) is N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine is c1ccc(-c2ccc3c4c(cccc24)C2(c4ccccc4-c4cccc5cccc2c45)c2cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)ccc2-3)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine?
The InChIKey is VWIWZBBNLADOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-2-14-38(15-3-1)43-34-35-51-46-32-30-41(62(56-28-12-17-39-16-4-5-20-44(39)56)42-31-33-48-47-22-7-9-29-57(47)63-58(48)37-42)36-55(46)61(54-27-13-24-49(43)60(51)54)52-25-8-6-21-45(52)50-23-10-18-40-19-11-26-53(61)59(40)50/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine?
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-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-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine is sourced from PubChem (CID 164974952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).