9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole

C53H32N2OS — CID 169011595

IUPAC9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5cc(-n7c8ccccc8c8ccccc87)ccc56)cc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H32N2OS/c1-3-11-33(12-4-1)46-28-38(29-47(54-46)34-13-5-2-6-14-34)37-20-24-44-45-27-35(21-26-52(45)57-53(44)31-37)36-19-23-42-43-25-22-39(32-51(43)56-50(42)30-36)55-48-17-9-7-15-40(48)41-16-8-10-18-49(41)55/h1-32H
InChIKeyZHMDOHQTISOBKC-UHFFFAOYSA-N
MW744.92 g/mol
LogP15.11
Rot. Bonds5

About 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole

9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 169011595) has the molecular formula C53H32N2OS and a molecular weight of 744.92 g/mol. Its IUPAC name is 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
PubChem CID169011595
Molecular FormulaC53H32N2OS
Molecular Weight744.92 g/mol
Exact Mass744.22
IUPAC Name9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5cc(-n7c8ccccc8c8ccccc87)ccc56)cc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H32N2OS/c1-3-11-33(12-4-1)46-28-38(29-47(54-46)34-13-5-2-6-14-34)37-20-24-44-45-27-35(21-26-52(45)57-53(44)31-37)36-19-23-42-43-25-22-39(32-51(43)56-50(42)30-36)55-48-17-9-7-15-40(48)41-16-8-10-18-49(41)55/h1-32H
InChIKeyZHMDOHQTISOBKC-UHFFFAOYSA-N
XLogP15.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768676
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
CID 163750210
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 163660438
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole (CID 169011595) is 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)sc3ccc(-c5ccc6c(c5)oc5cc(-n7c8ccccc8c8ccccc87)ccc56)cc34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is ZHMDOHQTISOBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2OS/c1-3-11-33(12-4-1)46-28-38(29-47(54-46)34-13-5-2-6-14-34)37-20-24-44-45-27-35(21-26-52(45)57-53(44)31-37)36-19-23-42-43-25-22-39(32-51(43)56-50(42)30-36)55-48-17-9-7-15-40(48)41-16-8-10-18-49(41)55/h1-32H.
What are the key properties of 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole?
9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 744.92 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 169011595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).