11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane

C125H85Cl4N11 — CID 159567447

About 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane

11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane (PubChem CID 159567447) has the molecular formula C125H85Cl4N11 and a molecular weight of 1882.94 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane.

Molecular Properties

• Compound Name: 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane
• PubChem CID: 159567447
• Molecular Formula: C125H85Cl4N11
• Molecular Weight: 1882.94 g/mol
• Exact Mass: 1879.57
• IUPAC Name: 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane
• SMILES: C.C.Clc1ccc2c(c1)Cc1cc3ccccc3cc1-2.Clc1ccc2c3cc4ccccc4cc3n(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2c1.Clc1ccc2c3cc4ccccc4cc3n(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2c1.Clc1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
• InChI: InChI=1S/2C35H21ClN4.C19H12ClN3.C17H11Cl.C17H12.2CH4/c2*36-28-16-17-29-30-19-25-12-6-7-13-26(25)20-31(30)40(32(29)21-28)35-38-33(23-9-2-1-3-10-23)37-34(39-35)27-15-14-22-8-4-5-11-24(22)18-27;20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16;18-15-5-6-16-14(9-15)8-13-7-11-3-1-2-4-12(11)10-17(13)16;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;;/h2*1-21H;1-12H;1-7,9-10H,8H2;1-9,11H,10H2;2*1H4
• InChIKey: MHJNANPFJJUSNB-UHFFFAOYSA-N
• XLogP: 34.28
• TPSA: 125.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.94
LogP ≤ 5	34.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane?

The IUPAC name of 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane (CID 159567447) is 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane.

What is the SMILES notation for 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane?

The canonical SMILES for 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane is C.C.Clc1ccc2c(c1)Cc1cc3ccccc3cc1-2.Clc1ccc2c3cc4ccccc4cc3n(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2c1.Clc1ccc2c3cc4ccccc4cc3n(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)c2c1.Clc1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.

What is the InChIKey of 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane?

The InChIKey is MHJNANPFJJUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H21ClN4.C19H12ClN3.C17H11Cl.C17H12.2CH4/c2*36-28-16-17-29-30-19-25-12-6-7-13-26(25)20-31(30)40(32(29)21-28)35-38-33(23-9-2-1-3-10-23)37-34(39-35)27-15-14-22-8-4-5-11-24(22)18-27;20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16;18-15-5-6-16-14(9-15)8-13-7-11-3-1-2-4-12(11)10-17(13)16;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;;/h2*1-21H;1-12H;1-7,9-10H,8H2;1-9,11H,10H2;2*1H4.

What are the key properties of 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane?

11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane has a molecular weight of 1882.94 g/mol, XLogP of 34.28, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane is sourced from PubChem (CID 159567447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).