1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene

C238H174 — CID 159148611

About 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene

1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene (PubChem CID 159148611) has the molecular formula C238H174 and a molecular weight of 3034.01 g/mol. Its IUPAC name is 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene.

Molecular Properties

• Compound Name: 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
• PubChem CID: 159148611
• Molecular Formula: C238H174
• Molecular Weight: 3034.01 g/mol
• Exact Mass: 3031.36
• IUPAC Name: 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
• SMILES: CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc1-2.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc1-2
• InChI: InChI=1S/C41H28.C37H26.C35H30.C32H24.3C31H22/c1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;1-37(2)33-21-27(23-7-4-3-5-8-23)15-18-30(33)31-19-16-28(22-34(31)37)29-17-13-26-12-11-24-9-6-10-25-14-20-32(29)36(26)35(24)25;1-34(2,3)25-14-18-28-27-16-13-24(19-30(27)35(4,5)31(28)20-25)26-15-11-23-10-9-21-7-6-8-22-12-17-29(26)33(23)32(21)22;1-19-7-13-25-26-15-12-23(18-29(26)32(2,3)28(25)17-19)24-14-10-22-9-8-20-5-4-6-21-11-16-27(24)31(22)30(20)21;3*1-31(2)27-9-4-3-8-24(27)25-16-14-22(18-28(25)31)23-15-12-21-11-10-19-6-5-7-20-13-17-26(23)30(21)29(19)20/h3-24H,1-2H3;3-22H,1-2H3;6-20H,1-5H3;4-18H,1-3H3;3*3-18H,1-2H3
• InChIKey: KIZMREUGNFMDJR-UHFFFAOYSA-N
• XLogP: 65.99
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3034.01
LogP ≤ 5	65.99
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 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene?

The IUPAC name of 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene (CID 159148611) is 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene.

What is the SMILES notation for 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene?

The canonical SMILES for 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc1-2.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc1-2.

What is the InChIKey of 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene?

The InChIKey is KIZMREUGNFMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28.C37H26.C35H30.C32H24.3C31H22/c1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;1-37(2)33-21-27(23-7-4-3-5-8-23)15-18-30(33)31-19-16-28(22-34(31)37)29-17-13-26-12-11-24-9-6-10-25-14-20-32(29)36(26)35(24)25;1-34(2,3)25-14-18-28-27-16-13-24(19-30(27)35(4,5)31(28)20-25)26-15-11-23-10-9-21-7-6-8-22-12-17-29(26)33(23)32(21)22;1-19-7-13-25-26-15-12-23(18-29(26)32(2,3)28(25)17-19)24-14-10-22-9-8-20-5-4-6-21-11-16-27(24)31(22)30(20)21;3*1-31(2)27-9-4-3-8-24(27)25-16-14-22(18-28(25)31)23-15-12-21-11-10-19-6-5-7-20-13-17-26(23)30(21)29(19)20/h3-24H,1-2H3;3-22H,1-2H3;6-20H,1-5H3;4-18H,1-3H3;3*3-18H,1-2H3.

What are the key properties of 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene?

1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene has a molecular weight of 3034.01 g/mol, XLogP of 65.99, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene is sourced from PubChem (CID 159148611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).