5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole

C132H80N10OS — CID 159336281

IUPAC5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)oc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cnncc23)cc1
InChIInChI=1S/C48H30N4.C42H25N3O.C42H25N3S/c1-3-12-31(13-4-1)34-22-24-44-39(27-34)40-26-32-14-7-8-15-33(32)28-47(40)52(44)45-25-23-36(41-29-49-50-30-42(41)45)37-19-11-21-46-48(37)38-18-9-10-20-43(38)51(46)35-16-5-2-6-17-35;2*1-2-8-26(9-3-1)29-15-18-36-34(23-29)35-22-27-10-4-5-11-28(27)24-38(35)45(36)37-19-17-31(41-42(37)44-21-20-43-41)30-14-16-33-32-12-6-7-13-39(32)46-40(33)25-30/h1-30H;2*1-25H
InChIKeyLFORBAWNNDJPOI-UHFFFAOYSA-N
MW1854.23 g/mol
LogP35.01
Rot. Bonds10

About 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole

5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole (PubChem CID 159336281) has the molecular formula C132H80N10OS and a molecular weight of 1854.23 g/mol. Its IUPAC name is 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole
PubChem CID159336281
Molecular FormulaC132H80N10OS
Molecular Weight1854.23 g/mol
Exact Mass1852.62
IUPAC Name5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)oc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cnncc23)cc1
InChIInChI=1S/C48H30N4.C42H25N3O.C42H25N3S/c1-3-12-31(13-4-1)34-22-24-44-39(27-34)40-26-32-14-7-8-15-33(32)28-47(40)52(44)45-25-23-36(41-29-49-50-30-42(41)45)37-19-11-21-46-48(37)38-18-9-10-20-43(38)51(46)35-16-5-2-6-17-35;2*1-2-8-26(9-3-1)29-15-18-36-34(23-29)35-22-27-10-4-5-11-28(27)24-38(35)45(36)37-19-17-31(41-42(37)44-21-20-43-41)30-14-16-33-32-12-6-7-13-39(32)46-40(33)25-30/h1-30H;2*1-25H
InChIKeyLFORBAWNNDJPOI-UHFFFAOYSA-N
XLogP35.01
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.23
LogP ≤ 535.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole with MolForge

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Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
CID 157304164
CID 157304164
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
CID 160697263
CID 160697263
4-(1,1-Didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160768550
4-(9,9-Dimethyl-3-pentylfluoren-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzofuran-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylpyren-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161603802
CID 162061085
CID 162061085
2-[8-[8-[8-[3,7-Bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]-5-phenyl-1,3,4-oxadiazole
CID 57958393
CID 59359121
CID 59359121
8-(3,4,8,12,13-Pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[9-[8-(3,4,8,12,13-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzofuro[2,3-d]pyridazine
CID 70805800
5-[(1Z,3E)-1-[5-[3-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]-1-benzothiophen-2-yl]penta-1,3-dien-3-yl]pyrido[3,2-b]indole
CID 88569208
8-[3-(5-Dibenzofuran-2-ylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850213

Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole (CID 159336281) is 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)oc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3nccnc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cnncc23)cc1.
What is the InChIKey of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The InChIKey is LFORBAWNNDJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C42H25N3O.C42H25N3S/c1-3-12-31(13-4-1)34-22-24-44-39(27-34)40-26-32-14-7-8-15-33(32)28-47(40)52(44)45-25-23-36(41-29-49-50-30-42(41)45)37-19-11-21-46-48(37)38-18-9-10-20-43(38)51(46)35-16-5-2-6-17-35;2*1-2-8-26(9-3-1)29-15-18-36-34(23-29)35-22-27-10-4-5-11-28(27)24-38(35)45(36)37-19-17-31(41-42(37)44-21-20-43-41)30-14-16-33-32-12-6-7-13-39(32)46-40(33)25-30/h1-30H;2*1-25H.
What are the key properties of 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole?
5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole has a molecular weight of 1854.23 g/mol, XLogP of 35.01, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzofuran-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;5-(8-dibenzothiophen-3-ylquinoxalin-5-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole is sourced from PubChem (CID 159336281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).