ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C186H204 — CID 158174599

About ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 158174599) has the molecular formula C186H204 and a molecular weight of 2439.68 g/mol. Its IUPAC name is ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 158174599
• Molecular Formula: C186H204
• Molecular Weight: 2439.68 g/mol
• Exact Mass: 2437.60
• IUPAC Name: ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: C#Cc1ccc2c(c1C#CC)-c1c(ccc3c1-c1ccccc1C3)C2.C#Cc1ccc2c(c1C#CC)-c1c(ccc3c1Cc1ccccc1-3)C2.C#Cc1ccc2c(c1C#CC)-c1cc3c(cc1C2)-c1ccccc1C3.C#Cc1ccc2c(c1C#CC)-c1cc3c(cc1C2)Cc1ccccc1-3.C#Cc1ccc2c(c1C#CC)-c1ccc3c(c1C2)-c1ccccc1C3.C#Cc1ccc2c(c1C#CC)-c1ccc3c(c1C2)Cc1ccccc1-3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/6C25H16.18C2H6/c1-3-7-22-16(4-2)10-11-18-13-20-14-23-19(15-24(20)25(18)22)12-17-8-5-6-9-21(17)23;1-3-7-22-16(4-2)10-11-18-13-20-14-19-12-17-8-5-6-9-21(17)23(19)15-24(20)25(18)22;1-3-7-21-16(4-2)10-11-18-14-19-12-13-22-20-9-6-5-8-17(20)15-23(22)25(19)24(18)21;1-3-7-21-16(4-2)10-11-19-15-20-13-12-18-14-17-8-5-6-9-22(17)24(18)25(20)23(19)21;1-3-7-20-16(4-2)10-11-19-15-23-22(24(19)20)13-12-18-14-17-8-5-6-9-21(17)25(18)23;1-3-7-20-16(4-2)10-11-18-15-24-22(25(18)20)13-12-21-19-9-6-5-8-17(19)14-23(21)24;18*1-2/h2*2,5-6,8-11,14-15H,12-13H2,1H3;4*2,5-6,8-13H,14-15H2,1H3;18*1-2H3
• InChIKey: FXVWWQUVCJMWMC-UHFFFAOYSA-N
• XLogP: 49.56
• TPSA: 0.00 Ų
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2439.68
LogP ≤ 5	49.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 158174599) is ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is C#Cc1ccc2c(c1C#CC)-c1c(ccc3c1-c1ccccc1C3)C2.C#Cc1ccc2c(c1C#CC)-c1c(ccc3c1Cc1ccccc1-3)C2.C#Cc1ccc2c(c1C#CC)-c1cc3c(cc1C2)-c1ccccc1C3.C#Cc1ccc2c(c1C#CC)-c1cc3c(cc1C2)Cc1ccccc1-3.C#Cc1ccc2c(c1C#CC)-c1ccc3c(c1C2)-c1ccccc1C3.C#Cc1ccc2c(c1C#CC)-c1ccc3c(c1C2)Cc1ccccc1-3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is FXVWWQUVCJMWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C25H16.18C2H6/c1-3-7-22-16(4-2)10-11-18-13-20-14-23-19(15-24(20)25(18)22)12-17-8-5-6-9-21(17)23;1-3-7-22-16(4-2)10-11-18-13-20-14-19-12-17-8-5-6-9-21(17)23(19)15-24(20)25(18)22;1-3-7-21-16(4-2)10-11-18-14-19-12-13-22-20-9-6-5-8-17(20)15-23(22)25(19)24(18)21;1-3-7-21-16(4-2)10-11-19-15-20-13-12-18-14-17-8-5-6-9-22(17)24(18)25(20)23(19)21;1-3-7-20-16(4-2)10-11-19-15-23-22(24(19)20)13-12-18-14-17-8-5-6-9-21(17)25(18)23;1-3-7-20-16(4-2)10-11-18-15-24-22(25(18)20)13-12-21-19-9-6-5-8-17(19)14-23(21)24;18*1-2/h2*2,5-6,8-11,14-15H,12-13H2,1H3;4*2,5-6,8-13H,14-15H2,1H3;18*1-2H3.

What are the key properties of ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 2439.68 g/mol, XLogP of 49.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 158174599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).