7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

C126H79N3O2S3 — CID 160713773

IUPAC7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5[nH]c4c32)cc1.c1ccc2c(c1)Cc1c-2ccc2c1oc1ccccc12.c1ccc2c(c1)Cc1ccc3c(oc4ccccc43)c1-2.c1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1-2.c1ccc2c(c1)[nH]c1ccc3sc4ccccc4c3c12.c1ccc2c3c(ccc2c1)Cc1ccc2c(sc4ccccc42)c1-3
InChIInChI=1S/C28H18N2.C23H14S.2C19H12O.C19H12S.C18H11NS/c1-2-10-18(11-3-1)30-24-17-9-7-15-22(24)26-20-13-5-4-12-19(20)25-21-14-6-8-16-23(21)29-27(25)28(26)30;1-2-6-17-14(5-1)9-10-15-13-16-11-12-19-18-7-3-4-8-20(18)24-23(19)22(16)21(15)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-2-6-13-12(5-1)11-17-14(13)9-10-16-15-7-3-4-8-18(15)20-19(16)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-17,29H;1-12H,13H2;3*1-10H,11H2;1-10,19H
InChIKeyRSEUBIZMEVWSJC-UHFFFAOYSA-N
MW1763.24 g/mol
LogP35.98
Rot. Bonds1

About 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene

7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (PubChem CID 160713773) has the molecular formula C126H79N3O2S3 and a molecular weight of 1763.24 g/mol. Its IUPAC name is 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
PubChem CID160713773
Molecular FormulaC126H79N3O2S3
Molecular Weight1763.24 g/mol
Exact Mass1761.53
IUPAC Name7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5[nH]c4c32)cc1.c1ccc2c(c1)Cc1c-2ccc2c1oc1ccccc12.c1ccc2c(c1)Cc1ccc3c(oc4ccccc43)c1-2.c1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1-2.c1ccc2c(c1)[nH]c1ccc3sc4ccccc4c3c12.c1ccc2c3c(ccc2c1)Cc1ccc2c(sc4ccccc42)c1-3
InChIInChI=1S/C28H18N2.C23H14S.2C19H12O.C19H12S.C18H11NS/c1-2-10-18(11-3-1)30-24-17-9-7-15-22(24)26-20-13-5-4-12-19(20)25-21-14-6-8-16-23(21)29-27(25)28(26)30;1-2-6-17-14(5-1)9-10-15-13-16-11-12-19-18-7-3-4-8-20(18)24-23(19)22(16)21(15)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-2-6-13-12(5-1)11-17-14(13)9-10-16-15-7-3-4-8-18(15)20-19(16)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-17,29H;1-12H,13H2;3*1-10H,11H2;1-10,19H
InChIKeyRSEUBIZMEVWSJC-UHFFFAOYSA-N
XLogP35.98
TPSA62.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001763.24
LogP ≤ 535.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12H-[1]benzofuro[2,3-a]carbazole;7H-fluoreno[2,3-b][1]benzofuran;9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;5-phenyl-11H-indolo[3,2-b]carbazole;5-phenyl-12H-indolo[3,2-c]carbazole
CID 165089979
21-phenyl-9-thia-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 126517745
CID 158030330
CID 158030330
7,18-diphenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;28-oxa-5-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,27.019,24]octacosa-1(17),2,4(12),6,8,10,13,15,18(27),19,21,23,25-tridecaene;7-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-22-phenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;3-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;9-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;2-(9-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)pyridine;18-phenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;22-phenyl-18-(9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene;18-pyridin-2-yl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene;11-thiaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene
CID 160770647
18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 144725899
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
CID 164966273
CID 164966273
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170284217
3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 162115023
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;naphtho[1,2-b][1]benzofuran;naphtho[2,3-b][1]benzofuran;naphtho[1,2-b][1]benzothiole;naphtho[2,3-b][1]benzothiole;12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159232845

Frequently Asked Questions

What is the IUPAC name of 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The IUPAC name of 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene (CID 160713773) is 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The canonical SMILES for 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5[nH]c4c32)cc1.c1ccc2c(c1)Cc1c-2ccc2c1oc1ccccc12.c1ccc2c(c1)Cc1ccc3c(oc4ccccc43)c1-2.c1ccc2c(c1)Cc1ccc3c(sc4ccccc43)c1-2.c1ccc2c(c1)[nH]c1ccc3sc4ccccc4c3c12.c1ccc2c3c(ccc2c1)Cc1ccc2c(sc4ccccc42)c1-3.
What is the InChIKey of 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
The InChIKey is RSEUBIZMEVWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2.C23H14S.2C19H12O.C19H12S.C18H11NS/c1-2-10-18(11-3-1)30-24-17-9-7-15-22(24)26-20-13-5-4-12-19(20)25-21-14-6-8-16-23(21)29-27(25)28(26)30;1-2-6-17-14(5-1)9-10-15-13-16-11-12-19-18-7-3-4-8-20(18)24-23(19)22(16)21(15)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-2-6-13-12(5-1)11-17-14(13)9-10-16-15-7-3-4-8-18(15)20-19(16)17;1-2-6-14-12(5-1)11-13-9-10-16-15-7-3-4-8-17(15)20-19(16)18(13)14;1-3-7-13-11(5-1)17-14(19-13)9-10-16-18(17)12-6-2-4-8-15(12)20-16/h1-17,29H;1-12H,13H2;3*1-10H,11H2;1-10,19H.
What are the key properties of 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene?
7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene has a molecular weight of 1763.24 g/mol, XLogP of 35.98, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-fluoreno[4,3-b][1]benzofuran;12H-fluoreno[1,2-b][1]benzofuran;7H-fluoreno[4,3-b][1]benzothiole;3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;23-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 160713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).