N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

C62H41NO — CID 170301615

IUPACN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)48-26-12-8-21-41(48)44-35-34-39(36-53(44)61)63(55-32-17-33-56-60(55)59-45-24-7-6-20-40(45)47(37-57(59)64-56)38-18-4-3-5-19-38)54-31-16-30-52-58(54)46-25-11-15-29-51(46)62(52)49-27-13-9-22-42(49)43-23-10-14-28-50(43)62/h3-37H,1-2H3
InChIKeyPXSJMVKIVDIGMQ-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.53
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301615) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301615
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)48-26-12-8-21-41(48)44-35-34-39(36-53(44)61)63(55-32-17-33-56-60(55)59-45-24-7-6-20-40(45)47(37-57(59)64-56)38-18-4-3-5-19-38)54-31-16-30-52-58(54)46-25-11-15-29-51(46)62(52)49-27-13-9-22-42(49)43-23-10-14-28-50(43)62/h3-37H,1-2H3
InChIKeyPXSJMVKIVDIGMQ-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301597
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301659
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050271
N-(9,9-dimethylfluoren-2-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]-10'-amine
CID 130465184
23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
CID 155790988
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (CID 170301615) is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is PXSJMVKIVDIGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-61(2)48-26-12-8-21-41(48)44-35-34-39(36-53(44)61)63(55-32-17-33-56-60(55)59-45-24-7-6-20-40(45)47(37-57(59)64-56)38-18-4-3-5-19-38)54-31-16-30-52-58(54)46-25-11-15-29-51(46)62(52)49-27-13-9-22-42(49)43-23-10-14-28-50(43)62/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 816.02 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-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).