(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane

C48H35NOS — CID 146671592

IUPAC(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane
SMILESC1=CC(S(c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)Cc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C48H35NOS/c1-4-14-36(15-5-1)49-45-22-12-10-20-41(45)43-33-40(29-30-46(43)49)51(37-16-6-2-7-17-37,38-18-8-3-9-19-38)39-27-24-34(25-28-39)35-26-31-48-44(32-35)42-21-11-13-23-47(42)50-48/h1-32,40H,33H2
InChIKeyJIFKVSKGAUICAE-UHFFFAOYSA-N
MW673.88 g/mol
LogP13.12
Rot. Bonds6

About (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane

(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane (PubChem CID 146671592) has the molecular formula C48H35NOS and a molecular weight of 673.88 g/mol. Its IUPAC name is (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane.

Molecular Properties

Compound Name(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane
PubChem CID146671592
Molecular FormulaC48H35NOS
Molecular Weight673.88 g/mol
Exact Mass673.24
IUPAC Name(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane
SMILESC1=CC(S(c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)Cc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C48H35NOS/c1-4-14-36(15-5-1)49-45-22-12-10-20-41(45)43-33-40(29-30-46(43)49)51(37-16-6-2-7-17-37,38-18-8-3-9-19-38)39-27-24-34(25-28-39)35-26-31-48-44(32-35)42-21-11-13-23-47(42)50-48/h1-32,40H,33H2
InChIKeyJIFKVSKGAUICAE-UHFFFAOYSA-N
XLogP13.12
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.88
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-6,9-diphenyl-3,4-dihydrocarbazol-3-amine
CID 163783323
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336

Frequently Asked Questions

What is the IUPAC name of (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane?
The IUPAC name of (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane (CID 146671592) is (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane.
What is the SMILES notation for (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane?
The canonical SMILES for (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane is C1=CC(S(c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)Cc2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane?
The InChIKey is JIFKVSKGAUICAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NOS/c1-4-14-36(15-5-1)49-45-22-12-10-20-41(45)43-33-40(29-30-46(43)49)51(37-16-6-2-7-17-37,38-18-8-3-9-19-38)39-27-24-34(25-28-39)35-26-31-48-44(32-35)42-21-11-13-23-47(42)50-48/h1-32,40H,33H2.
What are the key properties of (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane?
(4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane has a molecular weight of 673.88 g/mol, XLogP of 13.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-2-ylphenyl)-diphenyl-(9-phenyl-3,4-dihydrocarbazol-3-yl)-λ4-sulfane is sourced from PubChem (CID 146671592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).