N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine

C54H41NO2S — CID 169030073

IUPACN-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)c4ccccc24)cccc13
InChIInChI=1S/C54H41NO2S/c1-53(2)27-28-54(3,4)43-31-48-41(30-42(43)53)38-18-11-17-37(52(38)57-48)34-24-25-44(35-14-6-5-13-33(34)35)55(32-23-26-47-40(29-32)36-15-7-9-20-46(36)56-47)45-19-12-22-50-51(45)39-16-8-10-21-49(39)58-50/h5-26,29-31H,27-28H2,1-4H3
InChIKeyJNVHHPLDLPADPP-UHFFFAOYSA-N
MW767.99 g/mol
LogP16.49
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine

N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine (PubChem CID 169030073) has the molecular formula C54H41NO2S and a molecular weight of 767.99 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine
PubChem CID169030073
Molecular FormulaC54H41NO2S
Molecular Weight767.99 g/mol
Exact Mass767.29
IUPAC NameN-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)c4ccccc24)cccc13
InChIInChI=1S/C54H41NO2S/c1-53(2)27-28-54(3,4)43-31-48-41(30-42(43)53)38-18-11-17-37(52(38)57-48)34-24-25-44(35-14-6-5-13-33(34)35)55(32-23-26-47-40(29-32)36-15-7-9-20-46(36)56-47)45-19-12-22-50-51(45)39-16-8-10-21-49(39)58-50/h5-26,29-31H,27-28H2,1-4H3
InChIKeyJNVHHPLDLPADPP-UHFFFAOYSA-N
XLogP16.49
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.99
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[3-[2-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]dibenzothiophen-1-amine
CID 169030004
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 169030142
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]triphenylen-2-amine;2-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N-naphthalen-1-yl-7-N-phenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine
CID 162050229
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine (CID 169030073) is N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)oc1c(-c2ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)c4ccccc24)cccc13.
What is the InChIKey of N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine?
The InChIKey is JNVHHPLDLPADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO2S/c1-53(2)27-28-54(3,4)43-31-48-41(30-42(43)53)38-18-11-17-37(52(38)57-48)34-24-25-44(35-14-6-5-13-33(34)35)55(32-23-26-47-40(29-32)36-15-7-9-20-46(36)56-47)45-19-12-22-50-51(45)39-16-8-10-21-49(39)58-50/h5-26,29-31H,27-28H2,1-4H3.
What are the key properties of N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine?
N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine has a molecular weight of 767.99 g/mol, XLogP of 16.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]dibenzofuran-2-amine is sourced from PubChem (CID 169030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).