2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline

C87H71N5 — CID 163530857

About 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline

2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline (PubChem CID 163530857) has the molecular formula C87H71N5 and a molecular weight of 1186.56 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline
• PubChem CID: 163530857
• Molecular Formula: C87H71N5
• Molecular Weight: 1186.56 g/mol
• Exact Mass: 1185.57
• IUPAC Name: 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline
• SMILES: CC1(C)c2cc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3ccccc3)c2C1(C)C
• InChI: InChI=1S/C45H37N3.C42H34N2/c1-44(2)39-28-27-33(29-38(39)36-26-16-25-35(40(36)45(44,3)4)30-17-8-5-9-18-30)34-23-14-15-24-37(34)43-47-41(31-19-10-6-11-20-31)46-42(48-43)32-21-12-7-13-22-32;1-41(2)34-21-13-20-31(27-14-7-5-8-15-27)37(34)33-24-22-30(26-35(33)42(41,3)4)39-38(29-17-9-6-10-18-29)43-36-25-23-28-16-11-12-19-32(28)40(36)44-39/h5-29H,1-4H3;5-26H,1-4H3
• InChIKey: DSWMXKWUTWVTSD-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.56
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline?

The IUPAC name of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline (CID 163530857) is 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline.

What is the SMILES notation for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline?

The canonical SMILES for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline is CC1(C)c2cc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3ccccc3)c2C1(C)C.

What is the InChIKey of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline?

The InChIKey is DSWMXKWUTWVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3.C42H34N2/c1-44(2)39-28-27-33(29-38(39)36-26-16-25-35(40(36)45(44,3)4)30-17-8-5-9-18-30)34-23-14-15-24-37(34)43-47-41(31-19-10-6-11-20-31)46-42(48-43)32-21-12-7-13-22-32;1-41(2)34-21-13-20-31(27-14-7-5-8-15-27)37(34)33-24-22-30(26-35(33)42(41,3)4)39-38(29-17-9-6-10-18-29)43-36-25-23-28-16-11-12-19-32(28)40(36)44-39/h5-29H,1-4H3;5-26H,1-4H3.

What are the key properties of 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline?

2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline has a molecular weight of 1186.56 g/mol, XLogP of 22.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline is sourced from PubChem (CID 163530857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).