11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole

C156H98N4O2S2 — CID 157067773

IUPAC11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)oc3c(-c4ccccc4)cc(-c4ccccc4)cc35)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)cc1.c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc1)c1ccccc12
InChIInChI=1S/C48H31NO.C38H23NS.C36H23NS.C34H21NO/c1-5-15-32(16-6-1)36-25-37(33-17-7-2-8-18-33)27-39(26-36)49-45-24-14-13-23-40(45)42-30-43-44-29-38(34-19-9-3-10-20-34)28-41(35-21-11-4-12-22-35)48(44)50-47(43)31-46(42)49;1-2-10-27-25(9-1)23-34(29-12-4-3-11-28(27)29)24-17-19-26(20-18-24)39-35-15-7-5-13-30(35)32-21-22-33-31-14-6-8-16-36(31)40-38(33)37(32)39;1-3-11-24(12-4-1)26-19-27(25-13-5-2-6-14-25)21-28(20-26)37-33-17-9-7-15-29(33)31-23-36-32(22-34(31)37)30-16-8-10-18-35(30)38-36;1-2-9-23-20-25(17-16-22(23)8-1)24-10-7-11-26(21-24)35-30-14-5-3-13-29(30)33-31(35)19-18-28-27-12-4-6-15-32(27)36-34(28)33/h1-31H;1-23H;1-23H;1-21H
InChIKeyACBPLGCZJBUWJE-UHFFFAOYSA-N
MW2124.66 g/mol
LogP44.47
Rot. Bonds12

About 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole

11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 157067773) has the molecular formula C156H98N4O2S2 and a molecular weight of 2124.66 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID157067773
Molecular FormulaC156H98N4O2S2
Molecular Weight2124.66 g/mol
Exact Mass2122.71
IUPAC Name11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)oc3c(-c4ccccc4)cc(-c4ccccc4)cc35)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)cc1.c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc1)c1ccccc12
InChIInChI=1S/C48H31NO.C38H23NS.C36H23NS.C34H21NO/c1-5-15-32(16-6-1)36-25-37(33-17-7-2-8-18-33)27-39(26-36)49-45-24-14-13-23-40(45)42-30-43-44-29-38(34-19-9-3-10-20-34)28-41(35-21-11-4-12-22-35)48(44)50-47(43)31-46(42)49;1-2-10-27-25(9-1)23-34(29-12-4-3-11-28(27)29)24-17-19-26(20-18-24)39-35-15-7-5-13-30(35)32-21-22-33-31-14-6-8-16-36(31)40-38(33)37(32)39;1-3-11-24(12-4-1)26-19-27(25-13-5-2-6-14-25)21-28(20-26)37-33-17-9-7-15-29(33)31-23-36-32(22-34(31)37)30-16-8-10-18-35(30)38-36;1-2-9-23-20-25(17-16-22(23)8-1)24-10-7-11-26(21-24)35-30-14-5-3-13-29(30)33-31(35)19-18-28-27-12-4-6-15-32(27)36-34(28)33/h1-31H;1-23H;1-23H;1-21H
InChIKeyACBPLGCZJBUWJE-UHFFFAOYSA-N
XLogP44.47
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002124.66
LogP ≤ 544.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
11-[4-[2-[2,4,6-Tris(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 135252636
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
N-dibenzofuran-1-yl-N-dibenzothiophen-4-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716829
N-dibenzofuran-1-yl-N-dibenzothiophen-2-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716830
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
N-dibenzothiophen-2-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716967
N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716968
N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717115
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552853

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole (CID 157067773) is 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole is c1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)oc3c(-c4ccccc4)cc(-c4ccccc4)cc35)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)cc1.c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc1)c1ccccc12.
What is the InChIKey of 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is ACBPLGCZJBUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO.C38H23NS.C36H23NS.C34H21NO/c1-5-15-32(16-6-1)36-25-37(33-17-7-2-8-18-33)27-39(26-36)49-45-24-14-13-23-40(45)42-30-43-44-29-38(34-19-9-3-10-20-34)28-41(35-21-11-4-12-22-35)48(44)50-47(43)31-46(42)49;1-2-10-27-25(9-1)23-34(29-12-4-3-11-28(27)29)24-17-19-26(20-18-24)39-35-15-7-5-13-30(35)32-21-22-33-31-14-6-8-16-36(31)40-38(33)37(32)39;1-3-11-24(12-4-1)26-19-27(25-13-5-2-6-14-25)21-28(20-26)37-33-17-9-7-15-29(33)31-23-36-32(22-34(31)37)30-16-8-10-18-35(30)38-36;1-2-9-23-20-25(17-16-22(23)8-1)24-10-7-11-26(21-24)35-30-14-5-3-13-29(30)33-31(35)19-18-28-27-12-4-6-15-32(27)36-34(28)33/h1-31H;1-23H;1-23H;1-21H.
What are the key properties of 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2124.66 g/mol, XLogP of 44.47, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-diphenylphenyl)-[1]benzothiolo[3,2-b]carbazole;7-(3,5-diphenylphenyl)-2,4-diphenyl-[1]benzofuro[2,3-b]carbazole;5-(3-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 157067773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).