9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole

C124H83N5S — CID 160634882

About 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole

9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole (PubChem CID 160634882) has the molecular formula C124H83N5S and a molecular weight of 1675.13 g/mol. Its IUPAC name is 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole
• PubChem CID: 160634882
• Molecular Formula: C124H83N5S
• Molecular Weight: 1675.13 g/mol
• Exact Mass: 1673.64
• IUPAC Name: 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole
• SMILES: CC(C)(C)c1cc2ccc3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5ncccc5c4)c4ccc(c1)c2c34.Cn1c(-c2ccc3ccc4c(-c5ccccc5)ccc5ccc2c3c54)ccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)s5)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/C47H34N2.C39H26N2.C38H23NS/c1-47(2,3)34-25-32-17-20-38-40(29-10-8-12-35(27-29)49-43-15-6-4-13-36(43)37-14-5-7-16-44(37)49)28-41(39-21-18-33(26-34)45(32)46(38)39)30-19-22-42-31(24-30)11-9-23-48-42;1-40-34(23-24-37(40)41-35-13-7-5-11-29(35)30-12-6-8-14-36(30)41)31-20-16-27-17-21-32-28(25-9-3-2-4-10-25)19-15-26-18-22-33(31)39(27)38(26)32;1-2-8-24(9-3-1)27-18-14-25-17-21-32-30(19-15-26-16-20-31(27)37(25)38(26)32)35-22-23-36(40-35)39-33-12-6-4-10-28(33)29-11-5-7-13-34(29)39/h4-28H,1-3H3;2-24H,1H3;1-23H
• InChIKey: RIKGZYDJNNHWIS-UHFFFAOYSA-N
• XLogP: 34.29
• TPSA: 32.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1675.13
LogP ≤ 5	34.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole?

The IUPAC name of 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole (CID 160634882) is 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole.

What is the SMILES notation for 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole?

The canonical SMILES for 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole is CC(C)(C)c1cc2ccc3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5ncccc5c4)c4ccc(c1)c2c34.Cn1c(-c2ccc3ccc4c(-c5ccccc5)ccc5ccc2c3c54)ccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)s5)ccc5ccc2c3c54)cc1.

What is the InChIKey of 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole?

The InChIKey is RIKGZYDJNNHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2.C39H26N2.C38H23NS/c1-47(2,3)34-25-32-17-20-38-40(29-10-8-12-35(27-29)49-43-15-6-4-13-36(43)37-14-5-7-16-44(37)49)28-41(39-21-18-33(26-34)45(32)46(38)39)30-19-22-42-31(24-30)11-9-23-48-42;1-40-34(23-24-37(40)41-35-13-7-5-11-29(35)30-12-6-8-14-36(30)41)31-20-16-27-17-21-32-28(25-9-3-2-4-10-25)19-15-26-18-22-33(31)39(27)38(26)32;1-2-8-24(9-3-1)27-18-14-25-17-21-32-30(19-15-26-16-20-31(27)37(25)38(26)32)35-22-23-36(40-35)39-33-12-6-4-10-28(33)29-11-5-7-13-34(29)39/h4-28H,1-3H3;2-24H,1H3;1-23H.

What are the key properties of 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole?

9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole has a molecular weight of 1675.13 g/mol, XLogP of 34.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(7-tert-butyl-3-quinolin-6-ylpyren-1-yl)phenyl]carbazole;9-[1-methyl-5-(6-phenylpyren-1-yl)pyrrol-2-yl]carbazole;9-[5-(6-phenylpyren-1-yl)thiophen-2-yl]carbazole is sourced from PubChem (CID 160634882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).