1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine

C60H48N2O2 — CID 139384344

IUPAC1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6c(c45)CCC=C6)c3)c3cccc4oc5c(c34)C=CCC5)cc21
InChIInChI=1S/C60H48N2O2/c1-59(2)47-22-9-5-18-41(47)43-32-30-39(35-49(43)59)61(51-24-14-28-55-57(51)45-20-7-11-26-53(45)63-55)37-16-13-17-38(34-37)62(52-25-15-29-56-58(52)46-21-8-12-27-54(46)64-56)40-31-33-44-42-19-6-10-23-48(42)60(3,4)50(44)36-40/h5-7,9-10,12-20,22-25,27-36H,8,11,21,26H2,1-4H3
InChIKeyCOLQDBULXBSFKJ-UHFFFAOYSA-N
MW829.06 g/mol
LogP16.65
Rot. Bonds6

About 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine

1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine (PubChem CID 139384344) has the molecular formula C60H48N2O2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
PubChem CID139384344
Molecular FormulaC60H48N2O2
Molecular Weight829.06 g/mol
Exact Mass828.37
IUPAC Name1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6c(c45)CCC=C6)c3)c3cccc4oc5c(c34)C=CCC5)cc21
InChIInChI=1S/C60H48N2O2/c1-59(2)47-22-9-5-18-41(47)43-32-30-39(35-49(43)59)61(51-24-14-28-55-57(51)45-20-7-11-26-53(45)63-55)37-16-13-17-38(34-37)62(52-25-15-29-56-58(52)46-21-8-12-27-54(46)64-56)40-31-33-44-42-19-6-10-23-48(42)60(3,4)50(44)36-40/h5-7,9-10,12-20,22-25,27-36H,8,11,21,26H2,1-4H3
InChIKeyCOLQDBULXBSFKJ-UHFFFAOYSA-N
XLogP16.65
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine with MolForge

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Related Compounds

N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
CID 156827193
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-8-amine
CID 167144302
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine
CID 146436723
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,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
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
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
CID 138489071
N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481157
N-(3-dibenzofuran-2-ylphenyl)-N-(5,6-dihydronaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 118487128
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301757

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine (CID 139384344) is 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6c(c45)CCC=C6)c3)c3cccc4oc5c(c34)C=CCC5)cc21.
What is the InChIKey of 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine?
The InChIKey is COLQDBULXBSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O2/c1-59(2)47-22-9-5-18-41(47)43-32-30-39(35-49(43)59)61(51-24-14-28-55-57(51)45-20-7-11-26-53(45)63-55)37-16-13-17-38(34-37)62(52-25-15-29-56-58(52)46-21-8-12-27-54(46)64-56)40-31-33-44-42-19-6-10-23-48(42)60(3,4)50(44)36-40/h5-7,9-10,12-20,22-25,27-36H,8,11,21,26H2,1-4H3.
What are the key properties of 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine?
1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine has a molecular weight of 829.06 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 139384344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).