8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine

C51H38N2O2 — CID 167309914

IUPAC8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4c5ccccc5OC34)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc21
InChIInChI=1S/C51H38N2O2/c1-51(2)42-22-11-9-19-37(42)38-29-27-36(32-43(38)51)53(45-24-13-21-40-39-20-10-12-25-46(39)55-50(40)45)35-28-30-47-41(31-35)49-44(23-14-26-48(49)54-47)52(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-32,40,50H,1-2H3
InChIKeyIUFUEPCBRPNSGH-UHFFFAOYSA-N
MW710.88 g/mol
LogP13.50
Rot. Bonds6

About 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine

8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine (PubChem CID 167309914) has the molecular formula C51H38N2O2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine.

Molecular Properties

Compound Name8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
PubChem CID167309914
Molecular FormulaC51H38N2O2
Molecular Weight710.88 g/mol
Exact Mass710.29
IUPAC Name8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4c5ccccc5OC34)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc21
InChIInChI=1S/C51H38N2O2/c1-51(2)42-22-11-9-19-37(42)38-29-27-36(32-43(38)51)53(45-24-13-21-40-39-20-10-12-25-46(39)55-50(40)45)35-28-30-47-41(31-35)49-44(23-14-26-48(49)54-47)52(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-32,40,50H,1-2H3
InChIKeyIUFUEPCBRPNSGH-UHFFFAOYSA-N
XLogP13.50
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-4a,9b-dihydrodibenzofuran-4-amine
CID 155218062
7-N-(4a,9b-dihydrodibenzofuran-4-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine
CID 134528962
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
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-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-1-yl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-amine
CID 170353038

Frequently Asked Questions

What is the IUPAC name of 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The IUPAC name of 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine (CID 167309914) is 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine.
What is the SMILES notation for 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The canonical SMILES for 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4c5ccccc5OC34)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc21.
What is the InChIKey of 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
The InChIKey is IUFUEPCBRPNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2O2/c1-51(2)42-22-11-9-19-37(42)38-29-27-36(32-43(38)51)53(45-24-13-21-40-39-20-10-12-25-46(39)55-50(40)45)35-28-30-47-41(31-35)49-44(23-14-26-48(49)54-47)52(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-32,40,50H,1-2H3.
What are the key properties of 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine?
8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine has a molecular weight of 710.88 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4a,9b-dihydrodibenzofuran-4-yl)-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine is sourced from PubChem (CID 167309914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).