4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene

C151H80 — CID 159591679

About 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene

4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene (PubChem CID 159591679) has the molecular formula C151H80 and a molecular weight of 1894.30 g/mol. Its IUPAC name is 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene.

Molecular Properties

• Compound Name: 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene
• PubChem CID: 159591679
• Molecular Formula: C151H80
• Molecular Weight: 1894.30 g/mol
• Exact Mass: 1892.63
• IUPAC Name: 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene
• SMILES: Cc1ccc2cccc3c2c1-c1cc(-c2cc4c(cc5c6ccccc6c6cccc4c65)c4cc5c(cc24)c2cccc4cccc5c42)ccc1-3.c1cc2c3c(cccc3c1)-c1cc(-c3cc4c(cc5c6ccccc6c6cccc4c65)c4cc5c(cc34)c3cccc4cccc5c43)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4cc5c(cc6c7ccccc7c7cccc5c76)c5cc6c(cc45)c4cccc5cccc6c54)ccc-2c13
• InChI: InChI=1S/C51H28.2C50H26/c1-27-18-19-29-10-6-13-34-33-21-20-30(22-46(33)48(27)50(29)34)39-23-40-38-17-7-16-35-31-11-2-3-12-32(31)47(51(35)38)26-45(40)44-25-42-37-15-5-9-28-8-4-14-36(49(28)37)41(42)24-43(39)44;1-2-13-31-30(12-1)34-18-7-19-38-41-23-39(29-20-21-32-33-14-3-8-27-9-4-15-35(48(27)33)40(32)22-29)44-24-42-36-16-5-10-28-11-6-17-37(49(28)36)43(42)25-45(44)46(41)26-47(31)50(34)38;1-2-12-29-28(11-1)33-17-7-19-35-32(21-22-39(29)49(33)35)40-23-43-38-20-8-18-34-30-13-3-4-14-31(30)47(50(34)38)26-46(43)45-25-42-37-16-6-10-27-9-5-15-36(48(27)37)41(42)24-44(40)45/h2-26H,1H3;2*1-26H
• InChIKey: MKIAGFSOKLEYMS-UHFFFAOYSA-N
• XLogP: 43.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1894.30
LogP ≤ 5	43.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene?

The IUPAC name of 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene (CID 159591679) is 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene.

What is the SMILES notation for 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene?

The canonical SMILES for 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene is Cc1ccc2cccc3c2c1-c1cc(-c2cc4c(cc5c6ccccc6c6cccc4c65)c4cc5c(cc24)c2cccc4cccc5c42)ccc1-3.c1cc2c3c(cccc3c1)-c1cc(-c3cc4c(cc5c6ccccc6c6cccc4c65)c4cc5c(cc34)c3cccc4cccc5c43)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4cc5c(cc6c7ccccc7c7cccc5c76)c5cc6c(cc45)c4cccc5cccc6c54)ccc-2c13.

What is the InChIKey of 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene?

The InChIKey is MKIAGFSOKLEYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28.2C50H26/c1-27-18-19-29-10-6-13-34-33-21-20-30(22-46(33)48(27)50(29)34)39-23-40-38-17-7-16-35-31-11-2-3-12-32(31)47(51(35)38)26-45(40)44-25-42-37-15-5-9-28-8-4-14-36(49(28)37)41(42)24-43(39)44;1-2-13-31-30(12-1)34-18-7-19-38-41-23-39(29-20-21-32-33-14-3-8-27-9-4-15-35(48(27)33)40(32)22-29)44-24-42-36-16-5-10-28-11-6-17-37(49(28)36)43(42)25-45(44)46(41)26-47(31)50(34)38;1-2-12-29-28(11-1)33-17-7-19-35-32(21-22-39(29)49(33)35)40-23-43-38-20-8-18-34-30-13-3-4-14-31(30)47(50(34)38)26-46(43)45-25-42-37-16-6-10-27-9-5-15-36(48(27)37)41(42)24-44(40)45/h2-26H,1H3;2*1-26H.

What are the key properties of 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene?

4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene has a molecular weight of 1894.30 g/mol, XLogP of 43.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoranthen-3-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene;4-(6-methylfluoranthen-8-yl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8,10,12(34),13,15,17,19,21,23,25,27,29(33),30-heptadecaene is sourced from PubChem (CID 159591679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).