5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

C47H28N2OS — CID 118154672

IUPAC5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-27-38(35-16-10-20-43-45(35)37-15-6-9-19-42(37)51-43)48-44(28-32)49-39-17-7-4-14-36(39)46-40(49)26-25-34-33-13-5-8-18-41(33)50-47(34)46/h1-28H
InChIKeyWQUVULNHHAEVIE-UHFFFAOYSA-N
MW668.82 g/mol
LogP13.45
Rot. Bonds4

About 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 118154672) has the molecular formula C47H28N2OS and a molecular weight of 668.82 g/mol. Its IUPAC name is 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID118154672
Molecular FormulaC47H28N2OS
Molecular Weight668.82 g/mol
Exact Mass668.19
IUPAC Name5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-27-38(35-16-10-20-43-45(35)37-15-6-9-19-42(37)51-43)48-44(28-32)49-39-17-7-4-14-36(39)46-40(49)26-25-34-33-13-5-8-18-41(33)50-47(34)46/h1-28H
InChIKeyWQUVULNHHAEVIE-UHFFFAOYSA-N
XLogP13.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154375
5-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 118154172
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154044
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 159845664
5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 159116407
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159310143
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768114
24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[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 155623191

Frequently Asked Questions

What is the IUPAC name of 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (CID 118154672) is 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)cc1.
What is the InChIKey of 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is WQUVULNHHAEVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-27-38(35-16-10-20-43-45(35)37-15-6-9-19-42(37)51-43)48-44(28-32)49-39-17-7-4-14-36(39)46-40(49)26-25-34-33-13-5-8-18-41(33)50-47(34)46/h1-28H.
What are the key properties of 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 668.82 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118154672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).