14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan

C131H82N2OS4 — CID 158784428

About 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan

14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan (PubChem CID 158784428) has the molecular formula C131H82N2OS4 and a molecular weight of 1828.38 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan
• PubChem CID: 158784428
• Molecular Formula: C131H82N2OS4
• Molecular Weight: 1828.38 g/mol
• Exact Mass: 1826.53
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c4c3ccc3c5ccccc5sc34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5c4ccc4c6ccccc6sc45)ccc32)cc1.c1ccc(-n2cc(-c3cc4ccccc4c4c3ccc3c5ccccc5sc34)c3ccccc32)cc1.c1ccc2c(c1)cc(-c1ccoc1)c1ccc3c4ccccc4sc3c12
• InChI: InChI=1S/C38H23NS.C35H24S.C34H21NS.C24H14OS/c1-2-11-26(12-3-1)39-34-16-8-6-14-28(34)33-23-25(18-21-35(33)39)32-22-24-10-4-5-13-27(24)37-30(32)19-20-31-29-15-7-9-17-36(29)40-38(31)37;1-35(2)30-13-7-5-11-24(30)25-16-15-22(20-31(25)35)29-19-21-9-3-4-10-23(21)33-27(29)17-18-28-26-12-6-8-14-32(26)36-34(28)33;1-2-11-23(12-3-1)35-21-30(25-14-6-8-16-31(25)35)29-20-22-10-4-5-13-24(22)33-27(29)18-19-28-26-15-7-9-17-32(26)36-34(28)33;1-2-6-17-15(5-1)13-21(16-11-12-25-14-16)19-9-10-20-18-7-3-4-8-22(18)26-24(20)23(17)19/h1-23H;3-20H,1-2H3;1-21H;1-14H
• InChIKey: IRMNHLMHZAGUGZ-UHFFFAOYSA-N
• XLogP: 39.05
• TPSA: 23.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1828.38
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan (CID 158784428) is 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan is CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4c4c3ccc3c5ccccc5sc34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5ccccc5c5c4ccc4c6ccccc6sc45)ccc32)cc1.c1ccc(-n2cc(-c3cc4ccccc4c4c3ccc3c5ccccc5sc34)c3ccccc32)cc1.c1ccc2c(c1)cc(-c1ccoc1)c1ccc3c4ccccc4sc3c12.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan?

The InChIKey is IRMNHLMHZAGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS.C35H24S.C34H21NS.C24H14OS/c1-2-11-26(12-3-1)39-34-16-8-6-14-28(34)33-23-25(18-21-35(33)39)32-22-24-10-4-5-13-27(24)37-30(32)19-20-31-29-15-7-9-17-36(29)40-38(31)37;1-35(2)30-13-7-5-11-24(30)25-16-15-22(20-31(25)35)29-19-21-9-3-4-10-23(21)33-27(29)17-18-28-26-12-6-8-14-32(26)36-34(28)33;1-2-11-23(12-3-1)35-21-30(25-14-6-8-16-31(25)35)29-20-22-10-4-5-13-24(22)33-27(29)18-19-28-26-15-7-9-17-32(26)36-34(28)33;1-2-6-17-15(5-1)13-21(16-11-12-25-14-16)19-9-10-20-18-7-3-4-8-22(18)26-24(20)23(17)19/h1-23H;3-20H,1-2H3;1-21H;1-14H.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan?

14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan has a molecular weight of 1828.38 g/mol, XLogP of 39.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;9-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)carbazole;1-phenyl-3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)indole;3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)furan is sourced from PubChem (CID 158784428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).