dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane

C42H29NOS — CID 134223188

IUPACdibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H29NOS/c1-4-14-30(15-5-1)43-39-22-12-10-20-35(39)37-28-33(24-26-40(37)43)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)34-25-27-42-38(29-34)36-21-11-13-23-41(36)44-42/h1-29H
InChIKeyWTPXEWXTVSYQBN-UHFFFAOYSA-N
MW595.77 g/mol
LogP12.02
Rot. Bonds5

About dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane

dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane (PubChem CID 134223188) has the molecular formula C42H29NOS and a molecular weight of 595.77 g/mol. Its IUPAC name is dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane.

Molecular Properties

Compound Namedibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
PubChem CID134223188
Molecular FormulaC42H29NOS
Molecular Weight595.77 g/mol
Exact Mass595.20
IUPAC Namedibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H29NOS/c1-4-14-30(15-5-1)43-39-22-12-10-20-35(39)37-28-33(24-26-40(37)43)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)34-25-27-42-38(29-34)36-21-11-13-23-41(36)44-42/h1-29H
InChIKeyWTPXEWXTVSYQBN-UHFFFAOYSA-N
XLogP12.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.77
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The IUPAC name of dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane (CID 134223188) is dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane.
What is the SMILES notation for dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The canonical SMILES for dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane is c1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The InChIKey is WTPXEWXTVSYQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NOS/c1-4-14-30(15-5-1)43-39-22-12-10-20-35(39)37-28-33(24-26-40(37)43)45(31-16-6-2-7-17-31,32-18-8-3-9-19-32)34-25-27-42-38(29-34)36-21-11-13-23-41(36)44-42/h1-29H.
What are the key properties of dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane has a molecular weight of 595.77 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane is sourced from PubChem (CID 134223188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).