12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole

C42H23NO2S — CID 170277042

IUPAC12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)oc1ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6cccc7c6sc6ccccc67)ccc45)c3c12
InChIInChI=1S/C42H23NO2S/c1-4-15-33-26(9-1)29-21-22-36-39(32-11-2-5-17-35(32)44-36)40(29)43(33)34-16-8-13-30-27-20-19-24(23-37(27)45-41(30)34)25-12-7-14-31-28-10-3-6-18-38(28)46-42(25)31/h1-23H
InChIKeyHHZZMJJHHAEIAW-UHFFFAOYSA-N
MW605.72 g/mol
LogP12.62
Rot. Bonds2

About 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole

12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 170277042) has the molecular formula C42H23NO2S and a molecular weight of 605.72 g/mol. Its IUPAC name is 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID170277042
Molecular FormulaC42H23NO2S
Molecular Weight605.72 g/mol
Exact Mass605.14
IUPAC Name12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(c1)oc1ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6cccc7c6sc6ccccc67)ccc45)c3c12
InChIInChI=1S/C42H23NO2S/c1-4-15-33-26(9-1)29-21-22-36-39(32-11-2-5-17-35(32)44-36)40(29)43(33)34-16-8-13-30-27-20-19-24(23-37(27)45-41(30)34)25-12-7-14-31-28-10-3-6-18-38(28)46-42(25)31/h1-23H
InChIKeyHHZZMJJHHAEIAW-UHFFFAOYSA-N
XLogP12.62
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163773711
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
CID 170284863
15-(4-dibenzofuran-4-ylphenyl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-dibenzofuran-4-yl-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-dibenzothiophen-4-ylphenyl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-dibenzothiophen-4-yl-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 159961314
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
12-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;12-[2-(2-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159617571
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666
12-[9-(4-phenylphenyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170688634
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
CID 169010894
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 146395791
4-[3-(9-dibenzofuran-4-ylcarbazol-4-yl)-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
CID 140922485

Frequently Asked Questions

What is the IUPAC name of 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole (CID 170277042) is 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole is c1ccc2c(c1)oc1ccc3c4ccccc4n(-c4cccc5c4oc4cc(-c6cccc7c6sc6ccccc67)ccc45)c3c12.
What is the InChIKey of 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is HHZZMJJHHAEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO2S/c1-4-15-33-26(9-1)29-21-22-36-39(32-11-2-5-17-35(32)44-36)40(29)43(33)34-16-8-13-30-27-20-19-24(23-37(27)45-41(30)34)25-12-7-14-31-28-10-3-6-18-38(28)46-42(25)31/h1-23H.
What are the key properties of 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole?
12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 605.72 g/mol, XLogP of 12.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 170277042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).