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

C141H89Cl4N11 — CID 158160054

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

11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole) (PubChem CID 158160054) has the molecular formula C141H89Cl4N11 and a molecular weight of 2079.15 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole).

Molecular Properties

• Compound Name: 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole)
• PubChem CID: 158160054
• Molecular Formula: C141H89Cl4N11
• Molecular Weight: 2079.15 g/mol
• Exact Mass: 2075.61
• IUPAC Name: 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole)
• SMILES: Clc1cccc2c1-c1cc3ccccc3cc1C2.Clc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.Clc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
• InChI: InChI=1S/2C41H25ClN4.C25H16ClN3.C17H11Cl.C17H12/c2*42-35-18-9-19-36-38(35)34-24-30-14-6-7-15-31(30)25-37(34)46(36)41-44-39(32-17-8-16-29(22-32)26-10-2-1-3-11-26)43-40(45-41)33-21-20-27-12-4-5-13-28(27)23-33;26-25-28-23(21-12-6-11-20(15-21)17-7-2-1-3-8-17)27-24(29-25)22-14-13-18-9-4-5-10-19(18)16-22;18-16-7-3-6-13-9-14-8-11-4-1-2-5-12(11)10-15(14)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*1-25H;1-16H;1-8,10H,9H2;1-9,11H,10H2
• InChIKey: FWDSLJQVWDADJY-UHFFFAOYSA-N
• XLogP: 38.01
• TPSA: 125.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.15
LogP ≤ 5	38.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole) (CID 158160054) is 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole).

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

The canonical SMILES for 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole) is Clc1cccc2c1-c1cc3ccccc3cc1C2.Clc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.Clc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3ccccc3c2)n1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.

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

The InChIKey is FWDSLJQVWDADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H25ClN4.C25H16ClN3.C17H11Cl.C17H12/c2*42-35-18-9-19-36-38(35)34-24-30-14-6-7-15-31(30)25-37(34)46(36)41-44-39(32-17-8-16-29(22-32)26-10-2-1-3-11-26)43-40(45-41)33-21-20-27-12-4-5-13-28(27)23-33;26-25-28-23(21-12-6-11-20(15-21)17-7-2-1-3-8-17)27-24(29-25)22-14-13-18-9-4-5-10-19(18)16-22;18-16-7-3-6-13-9-14-8-11-4-1-2-5-12(11)10-15(14)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*1-25H;1-16H;1-8,10H,9H2;1-9,11H,10H2.

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

11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole) has a molecular weight of 2079.15 g/mol, XLogP of 38.01, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11H-benzo[b]fluorene;4-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;bis(1-chloro-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole) is sourced from PubChem (CID 158160054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).