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

C47H28N2OS — CID 118154375

IUPAC5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-27-39(37-20-11-19-36-34-17-6-9-23-43(34)51-47(36)37)48-44(28-32)49-40-21-7-4-18-38(40)45-41(49)25-24-35-33-16-5-8-22-42(33)50-46(35)45/h1-28H
InChIKeyCNIOLVUXXQMQRY-UHFFFAOYSA-N
MW668.82 g/mol
LogP13.45
Rot. Bonds4

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

5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 118154375) has the molecular formula C47H28N2OS and a molecular weight of 668.82 g/mol. Its IUPAC name is 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID118154375
Molecular FormulaC47H28N2OS
Molecular Weight668.82 g/mol
Exact Mass668.19
IUPAC Name5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-27-39(37-20-11-19-36-34-17-6-9-23-43(34)51-47(36)37)48-44(28-32)49-40-21-7-4-18-38(40)45-41(49)25-24-35-33-16-5-8-22-42(33)50-46(35)45/h1-28H
InChIKeyCNIOLVUXXQMQRY-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-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154672
5-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 118154172
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
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-[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-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
CID 126627612
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
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-[3-(6-dibenzofuran-4-yl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[6-(9,9-dimethylfluoren-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158833192
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020

Frequently Asked Questions

What is the IUPAC name of 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (CID 118154375) is 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(-c3cc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc1.
What is the InChIKey of 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CNIOLVUXXQMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OS/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)32-27-39(37-20-11-19-36-34-17-6-9-23-43(34)51-47(36)37)48-44(28-32)49-40-21-7-4-18-38(40)45-41(49)25-24-35-33-16-5-8-22-42(33)50-46(35)45/h1-28H.
What are the key properties of 5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
5-[6-dibenzothiophen-4-yl-4-(3-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-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118154375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).