[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane

C54H36N2OS — CID 155299501

IUPAC[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H36N2OS/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)47-36-42(32-34-50(47)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-24-46(49)53-51(56)35-33-45-44-23-12-15-27-52(44)57-54(45)53/h1-36H
InChIKeyWRRFSPCKRRNSLT-UHFFFAOYSA-N
MW760.96 g/mol
LogP15.12
Rot. Bonds6

About [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane

[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane (PubChem CID 155299501) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane.

Molecular Properties

Compound Name[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
PubChem CID155299501
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC Name[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H36N2OS/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)47-36-42(32-34-50(47)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-24-46(49)53-51(56)35-33-45-44-23-12-15-27-52(44)57-54(45)53/h1-36H
InChIKeyWRRFSPCKRRNSLT-UHFFFAOYSA-N
XLogP15.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane with MolForge

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Related Compounds

15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842671
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 155761861
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218

Frequently Asked Questions

What is the IUPAC name of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The IUPAC name of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane (CID 155299501) is [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane.
What is the SMILES notation for [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The canonical SMILES for [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane is c1ccc(-n2c3ccccc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)ccc32)cc1.
What is the InChIKey of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
The InChIKey is WRRFSPCKRRNSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-4-16-37(17-5-1)55-48-25-13-10-22-43(48)47-36-42(32-34-50(47)55)58(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-30-28-38(29-31-41)56-49-26-14-11-24-46(49)53-51(56)35-33-45-44-23-12-15-27-52(44)57-54(45)53/h1-36H.
What are the key properties of [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane?
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane has a molecular weight of 760.96 g/mol, XLogP of 15.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane is sourced from PubChem (CID 155299501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).