11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C160H108 — CID 160875333

About 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 160875333) has the molecular formula C160H108 and a molecular weight of 2030.62 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
• PubChem CID: 160875333
• Molecular Formula: C160H108
• Molecular Weight: 2030.62 g/mol
• Exact Mass: 2028.85
• IUPAC Name: 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
• SMILES: C1=Cc2ccccc2C1.c1ccc2c(c1)Cc1cc3cc4cc5ccccc5cc4cc3cc1-2.c1ccc2c(c1)Cc1cc3cc4ccccc4cc3cc1-2.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2cc3c(cc2c1)Cc1cc2cc4ccccc4cc2cc1-3.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1-3.c1ccc2cc3cc4c(cc3cc2c1)Cc1cc2cc3ccccc3cc2cc1-4
• InChI: InChI=1S/C29H18.2C25H16.2C21H14.C17H12.C13H10.C9H8/c1-3-7-20-11-24-16-28-26(13-22(24)9-18(20)5-1)15-27-14-23-10-19-6-2-4-8-21(19)12-25(23)17-29(27)28;1-2-6-17-10-20-13-22-15-25-23(11-18-7-3-4-8-24(18)25)14-21(22)12-19(20)9-16(17)5-1;1-2-6-17-10-21-15-25-23(12-20(21)9-16(17)5-1)13-22-11-18-7-3-4-8-19(18)14-24(22)25;1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)20;1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1/h1-14,16-17H,15H2;1-10,12-15H,11H2;1-12,14-15H,13H2;2*1-10,12-13H,11H2;1-9,11H,10H2;1-8H,9H2;1-6H,7H2
• InChIKey: SMHVYAKMRSNMNQ-UHFFFAOYSA-N
• XLogP: 42.36
• TPSA: 0.00 Ų
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2030.62
LogP ≤ 5	42.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The IUPAC name of 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 160875333) is 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

What is the SMILES notation for 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The canonical SMILES for 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is C1=Cc2ccccc2C1.c1ccc2c(c1)Cc1cc3cc4cc5ccccc5cc4cc3cc1-2.c1ccc2c(c1)Cc1cc3cc4ccccc4cc3cc1-2.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2cc3c(cc2c1)Cc1cc2cc4ccccc4cc2cc1-3.c1ccc2cc3c(cc2c1)Cc1cc2ccccc2cc1-3.c1ccc2cc3cc4c(cc3cc2c1)Cc1cc2cc3ccccc3cc2cc1-4.

What is the InChIKey of 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The InChIKey is SMHVYAKMRSNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18.2C25H16.2C21H14.C17H12.C13H10.C9H8/c1-3-7-20-11-24-16-28-26(13-22(24)9-18(20)5-1)15-27-14-23-10-19-6-2-4-8-21(19)12-25(23)17-29(27)28;1-2-6-17-10-20-13-22-15-25-23(11-18-7-3-4-8-24(18)25)14-21(22)12-19(20)9-16(17)5-1;1-2-6-17-10-21-15-25-23(12-20(21)9-16(17)5-1)13-22-11-18-7-3-4-8-19(18)14-24(22)25;1-3-7-16-12-20-18(9-14(16)5-1)11-19-10-15-6-2-4-8-17(15)13-21(19)20;1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1/h1-14,16-17H,15H2;1-10,12-15H,11H2;1-12,14-15H,13H2;2*1-10,12-13H,11H2;1-9,11H,10H2;1-8H,9H2;1-6H,7H2.

What are the key properties of 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 2030.62 g/mol, XLogP of 42.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 160875333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).