12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole

C72H44N4OS — CID 164963553

IUPAC12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c23)cc1
InChIInChI=1S/C36H22N2O.C36H22N2S/c1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-2-11-23(12-3-1)37-30-18-8-5-15-28(30)34-31(37)22-21-26-24-13-4-7-17-29(24)38(35(26)34)32-19-10-16-27-25-14-6-9-20-33(25)39-36(27)32/h2*1-22H
InChIKeyCDVMAWWQSPHMKK-UHFFFAOYSA-N
MW1013.24 g/mol
LogP20.03
Rot. Bonds4

About 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole

12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole (PubChem CID 164963553) has the molecular formula C72H44N4OS and a molecular weight of 1013.24 g/mol. Its IUPAC name is 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
PubChem CID164963553
Molecular FormulaC72H44N4OS
Molecular Weight1013.24 g/mol
Exact Mass1012.32
IUPAC Name12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c23)cc1
InChIInChI=1S/C36H22N2O.C36H22N2S/c1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-2-11-23(12-3-1)37-30-18-8-5-15-28(30)34-31(37)22-21-26-24-13-4-7-17-29(24)38(35(26)34)32-19-10-16-27-25-14-6-9-20-33(25)39-36(27)32/h2*1-22H
InChIKeyCDVMAWWQSPHMKK-UHFFFAOYSA-N
XLogP20.03
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.24
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
12-dibenzofuran-1-yl-5-dibenzothiophen-4-ylindolo[3,2-c]carbazole
CID 168744266
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
10-dibenzofuran-4-yl-[1]benzofuro[3,2-b]indole;12-dibenzothiophen-3-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-3-yl-[1]benzofuro[2,3-b]carbazole;10-dibenzothiophen-4-yl-[1]benzofuro[3,2-b]indole;5-dibenzothiophen-4-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzothiophen-4-yl-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;12-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole;7-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole;14-(9-phenylcarbazol-3-yl)-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
CID 160545653
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)-[1]benzofuro[3,2-c]carbazole;2-([1]benzofuro[3,2-a]carbazol-12-yl)-9-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzofuro[3,2-c]carbazole;5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl]-[1]benzofuro[3,2-c]carbazole
CID 159500060
12-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]indolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 159997098
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
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole (CID 164963553) is 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5c4sc4ccccc45)c23)cc1.
What is the InChIKey of 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole?
The InChIKey is CDVMAWWQSPHMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O.C36H22N2S/c1-2-10-23(11-3-1)37-31-16-8-5-14-29(31)35-32(37)21-20-28-25-12-4-7-15-30(25)38(36(28)35)24-18-19-27-26-13-6-9-17-33(26)39-34(27)22-24;1-2-11-23(12-3-1)37-30-18-8-5-15-28(30)34-31(37)22-21-26-24-13-4-7-17-29(24)38(35(26)34)32-19-10-16-27-25-14-6-9-20-33(25)39-36(27)32/h2*1-22H.
What are the key properties of 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole?
12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole has a molecular weight of 1013.24 g/mol, XLogP of 20.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 164963553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).