3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole

C101H61Cl3N12 — CID 165070096

About 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole

3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole (PubChem CID 165070096) has the molecular formula C101H61Cl3N12 and a molecular weight of 1549.04 g/mol. Its IUPAC name is 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole
• PubChem CID: 165070096
• Molecular Formula: C101H61Cl3N12
• Molecular Weight: 1549.04 g/mol
• Exact Mass: 1546.42
• IUPAC Name: 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole
• SMILES: Clc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc(-c2c3ccccc3cc3ccccc23)n1.Clc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc(-c2cccc3ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4ccc5c(ccc6ccccc65)c4)c3c2)n1
• InChI: InChI=1S/2C35H21ClN4.C31H19ClN4/c36-35-38-33(37-34(39-35)32-26-14-6-4-10-22(26)20-23-11-5-7-15-27(23)32)24-18-19-31-29(21-24)28-16-8-9-17-30(28)40(31)25-12-2-1-3-13-25;36-35-38-33(23-9-2-1-3-10-23)37-34(39-35)25-16-18-30-29-12-6-7-13-31(29)40(32(30)21-25)26-17-19-28-24(20-26)15-14-22-8-4-5-11-27(22)28;32-31-34-29(33-30(35-31)26-15-8-10-20-9-4-5-13-23(20)26)21-17-18-25-24-14-6-7-16-27(24)36(28(25)19-21)22-11-2-1-3-12-22/h2*1-21H;1-19H
• InChIKey: SPOUVDDCFCWKHB-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.04
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole?

The IUPAC name of 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole (CID 165070096) is 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole.

What is the SMILES notation for 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole?

The canonical SMILES for 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole is Clc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc(-c2c3ccccc3cc3ccccc23)n1.Clc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc(-c2cccc3ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4ccc5c(ccc6ccccc65)c4)c3c2)n1.

What is the InChIKey of 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole?

The InChIKey is SPOUVDDCFCWKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H21ClN4.C31H19ClN4/c36-35-38-33(37-34(39-35)32-26-14-6-4-10-22(26)20-23-11-5-7-15-27(23)32)24-18-19-31-29(21-24)28-16-8-9-17-30(28)40(31)25-12-2-1-3-13-25;36-35-38-33(23-9-2-1-3-10-23)37-34(39-35)25-16-18-30-29-12-6-7-13-31(29)40(32(30)21-25)26-17-19-28-24(20-26)15-14-22-8-4-5-11-27(22)28;32-31-34-29(33-30(35-31)26-15-8-10-20-9-4-5-13-23(20)26)21-17-18-25-24-14-6-7-16-27(24)36(28(25)19-21)22-11-2-1-3-12-22/h2*1-21H;1-19H.

What are the key properties of 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole?

3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole has a molecular weight of 1549.04 g/mol, XLogP of 26.63, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-anthracen-9-yl-6-chloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-phenanthren-2-ylcarbazole is sourced from PubChem (CID 165070096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).