5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene

C135H130 — CID 165102581

About 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene

5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene (PubChem CID 165102581) has the molecular formula C135H130 and a molecular weight of 1752.52 g/mol. Its IUPAC name is 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene.

Molecular Properties

• Compound Name: 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene
• PubChem CID: 165102581
• Molecular Formula: C135H130
• Molecular Weight: 1752.52 g/mol
• Exact Mass: 1751.02
• IUPAC Name: 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene
• SMILES: CC(C)(C)c1cc2c(c3ccccc13)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1c(ccc3ccccc13)C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc3ccccc3c1-2.CC(C)(C)c1ccc2c3c(cccc13)-c1ccccc1-2.CC(C)(C)c1ccc2c3cccc4cccc(c5cccc1c52)c43.CC(C)(C)c1ccc2c3ccccc3c3ccccc3c2c1
• InChI: InChI=1S/C24H20.3C23H24.C22H20.C20H18/c1-24(2,3)21-14-13-19-17-10-5-8-15-7-4-9-16(22(15)17)18-11-6-12-20(21)23(18)19;1-22(2,3)19-14-20-21(16-11-7-6-10-15(16)19)17-12-8-9-13-18(17)23(20,4)5;1-22(2,3)16-11-12-18-20(14-16)23(4,5)19-13-10-15-8-6-7-9-17(15)21(18)19;1-22(2,3)16-11-13-19-18(14-16)21-17-9-7-6-8-15(17)10-12-20(21)23(19,4)5;1-22(2,3)15-12-13-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)21(20)14-15;1-20(2,3)18-12-11-16-14-8-5-4-7-13(14)15-9-6-10-17(18)19(15)16/h4-14H,1-3H3;3*6-14H,1-5H3;4-14H,1-3H3;4-12H,1-3H3
• InChIKey: YOYBLRGNEGSEQM-UHFFFAOYSA-N
• XLogP: 38.59
• TPSA: 0.00 Ų
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1752.52
LogP ≤ 5	38.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene?

The IUPAC name of 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene (CID 165102581) is 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene.

What is the SMILES notation for 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene?

The canonical SMILES for 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene is CC(C)(C)c1cc2c(c3ccccc13)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1c(ccc3ccccc13)C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccc3ccccc3c1-2.CC(C)(C)c1ccc2c3c(cccc13)-c1ccccc1-2.CC(C)(C)c1ccc2c3cccc4cccc(c5cccc1c52)c43.CC(C)(C)c1ccc2c3ccccc3c3ccccc3c2c1.

What is the InChIKey of 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene?

The InChIKey is YOYBLRGNEGSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20.3C23H24.C22H20.C20H18/c1-24(2,3)21-14-13-19-17-10-5-8-15-7-4-9-16(22(15)17)18-11-6-12-20(21)23(18)19;1-22(2,3)19-14-20-21(16-11-7-6-10-15(16)19)17-12-8-9-13-18(17)23(20,4)5;1-22(2,3)16-11-12-18-20(14-16)23(4,5)19-13-10-15-8-6-7-9-17(15)21(18)19;1-22(2,3)16-11-13-19-18(14-16)21-17-9-7-6-8-15(17)10-12-20(21)23(19,4)5;1-22(2,3)15-12-13-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)21(20)14-15;1-20(2,3)18-12-11-16-14-8-5-4-7-13(14)15-9-6-10-17(18)19(15)16/h4-14H,1-3H3;3*6-14H,1-5H3;4-14H,1-3H3;4-12H,1-3H3.

What are the key properties of 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene?

5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene has a molecular weight of 1752.52 g/mol, XLogP of 38.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene is sourced from PubChem (CID 165102581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).