4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole

C159H92N4O3S — CID 159899438

IUPAC4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5c(-c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/C46H28N2.C40H23NS.C40H22O2.C33H19NO/c1-2-13-33(14-3-1)47-41-18-6-4-16-36(41)39-28-44-40(27-43(39)47)37-17-5-7-19-42(37)48(44)34-15-9-12-32(26-34)35-24-22-31-21-20-29-10-8-11-30-23-25-38(35)46(31)45(29)30;1-3-13-35-30(11-1)33-23-38-34(31-12-2-4-14-37(31)42-38)22-36(33)41(35)28-10-6-9-27(21-28)29-19-17-26-16-15-24-7-5-8-25-18-20-32(29)40(26)39(24)25;1-3-13-35-27(7-1)33-11-5-9-31(39(33)41-35)25-19-15-23-18-22-30-26(20-16-24-17-21-29(25)37(23)38(24)30)32-10-6-12-34-28-8-2-4-14-36(28)42-40(32)34;1-2-13-30-24(8-1)26-9-4-10-27(33(26)35-30)29-12-5-11-28(34-29)23-18-16-22-15-14-20-6-3-7-21-17-19-25(23)32(22)31(20)21/h1-28H;1-23H;1-22H;1-19H
InChIKeyNVTNSSXJHBJQOF-UHFFFAOYSA-N
MW2138.58 g/mol
LogP45.09
Rot. Bonds9

About 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole

4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 159899438) has the molecular formula C159H92N4O3S and a molecular weight of 2138.58 g/mol. Its IUPAC name is 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID159899438
Molecular FormulaC159H92N4O3S
Molecular Weight2138.58 g/mol
Exact Mass2136.69
IUPAC Name4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5c(-c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/C46H28N2.C40H23NS.C40H22O2.C33H19NO/c1-2-13-33(14-3-1)47-41-18-6-4-16-36(41)39-28-44-40(27-43(39)47)37-17-5-7-19-42(37)48(44)34-15-9-12-32(26-34)35-24-22-31-21-20-29-10-8-11-30-23-25-38(35)46(31)45(29)30;1-3-13-35-30(11-1)33-23-38-34(31-12-2-4-14-37(31)42-38)22-36(33)41(35)28-10-6-9-27(21-28)29-19-17-26-16-15-24-7-5-8-25-18-20-32(29)40(26)39(24)25;1-3-13-35-27(7-1)33-11-5-9-31(39(33)41-35)25-19-15-23-18-22-30-26(20-16-24-17-21-29(25)37(23)38(24)30)32-10-6-12-34-28-8-2-4-14-36(28)42-40(32)34;1-2-13-30-24(8-1)26-9-4-10-27(33(26)35-30)29-12-5-11-28(34-29)23-18-16-22-15-14-20-6-3-7-21-17-19-25(23)32(22)31(20)21/h1-28H;1-23H;1-22H;1-19H
InChIKeyNVTNSSXJHBJQOF-UHFFFAOYSA-N
XLogP45.09
TPSA67.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002138.58
LogP ≤ 545.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole with MolForge

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Related Compounds

11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
3-dibenzofuran-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 164972268
12-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780567
3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164972458
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;3-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)-9-phenylcarbazole;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)carbazole;4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-21-yl)dibenzofuran
CID 162139238
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-[1]benzothiolo[3,2-b]carbazole;9-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)carbazole;5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole;11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole
CID 158315397
3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430720

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole (CID 159899438) is 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole is c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc2c(c1)oc1c(-c3ccc4ccc5c(-c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cccc12.
What is the InChIKey of 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is NVTNSSXJHBJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2.C40H23NS.C40H22O2.C33H19NO/c1-2-13-33(14-3-1)47-41-18-6-4-16-36(41)39-28-44-40(27-43(39)47)37-17-5-7-19-42(37)48(44)34-15-9-12-32(26-34)35-24-22-31-21-20-29-10-8-11-30-23-25-38(35)46(31)45(29)30;1-3-13-35-30(11-1)33-23-38-34(31-12-2-4-14-37(31)42-38)22-36(33)41(35)28-10-6-9-27(21-28)29-19-17-26-16-15-24-7-5-8-25-18-20-32(29)40(26)39(24)25;1-3-13-35-27(7-1)33-11-5-9-31(39(33)41-35)25-19-15-23-18-22-30-26(20-16-24-17-21-29(25)37(23)38(24)30)32-10-6-12-34-28-8-2-4-14-36(28)42-40(32)34;1-2-13-30-24(8-1)26-9-4-10-27(33(26)35-30)29-12-5-11-28(34-29)23-18-16-22-15-14-20-6-3-7-21-17-19-25(23)32(22)31(20)21/h1-28H;1-23H;1-22H;1-19H.
What are the key properties of 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole?
4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 2138.58 g/mol, XLogP of 45.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-4-ylpyren-1-yl)dibenzofuran;2-dibenzofuran-4-yl-6-pyren-1-ylpyridine;5-phenyl-11-(3-pyren-1-ylphenyl)indolo[3,2-b]carbazole;11-(3-pyren-1-ylphenyl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 159899438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).