N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine

C62H41NO — CID 177280598

IUPACN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)50-25-10-5-19-42(50)46-32-30-40(37-55(46)61)63(56-34-35-58-60(48-23-9-14-29-57(48)64-58)59(56)47-24-15-17-38-16-3-4-18-41(38)47)39-31-33-54-49(36-39)45-22-8-13-28-53(45)62(54)51-26-11-6-20-43(51)44-21-7-12-27-52(44)62/h3-37H,1-2H3
InChIKeyXXHDYQDYKAULIF-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.53
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine (PubChem CID 177280598) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
PubChem CID177280598
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C62H41NO/c1-61(2)50-25-10-5-19-42(50)46-32-30-40(37-55(46)61)63(56-34-35-58-60(48-23-9-14-29-57(48)64-58)59(56)47-24-15-17-38-16-3-4-18-41(38)47)39-31-33-54-49(36-39)45-22-8-13-28-53(45)62(54)51-26-11-6-20-43(51)44-21-7-12-27-52(44)62/h3-37H,1-2H3
InChIKeyXXHDYQDYKAULIF-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-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 177281319
N-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 177280746
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
N-(9,9-dimethylfluoren-2-yl)-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-yl)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 130465191
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
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-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine (CID 177280598) is N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
The InChIKey is XXHDYQDYKAULIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-61(2)50-25-10-5-19-42(50)46-32-30-40(37-55(46)61)63(56-34-35-58-60(48-23-9-14-29-57(48)64-58)59(56)47-24-15-17-38-16-3-4-18-41(38)47)39-31-33-54-49(36-39)45-22-8-13-28-53(45)62(54)51-26-11-6-20-43(51)44-21-7-12-27-52(44)62/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-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)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine is sourced from PubChem (CID 177280598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).