2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine

C102H60N6O2 — CID 170016012

About 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine

2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 170016012) has the molecular formula C102H60N6O2 and a molecular weight of 1401.64 g/mol. Its IUPAC name is 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine
• PubChem CID: 170016012
• Molecular Formula: C102H60N6O2
• Molecular Weight: 1401.64 g/mol
• Exact Mass: 1400.48
• IUPAC Name: 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cc7c8cccc(-c9ccc(-c%10nc(-c%11ccc%12ccc%13c%14ccccc%14ccc%13c%12c%11)nc(-c%11cccc%12oc%13cc(-c%14cccc(-c%15ccccc%15)c%14)ccc%13c%11%12)n%10)cc9)c8ccc7c7ccccc67)n5)c34)cc2)cc1
• InChI: InChI=1S/C102H60N6O2/c1-4-18-61(19-5-1)63-36-38-64(39-37-63)72-48-52-84-93(58-72)109-92-35-17-33-87(96(84)92)101-104-97(68-23-8-3-9-24-68)106-102(108-101)90-60-89-78-31-15-30-76(81(78)54-55-83(89)77-28-12-13-29-79(77)90)66-40-43-69(44-41-66)98-103-99(74-45-42-67-47-50-80-75-27-11-10-22-65(75)46-51-82(80)88(67)57-74)107-100(105-98)86-32-16-34-91-95(86)85-53-49-73(59-94(85)110-91)71-26-14-25-70(56-71)62-20-6-2-7-21-62/h1-60H
• InChIKey: JCKIIYRCKMUMMW-UHFFFAOYSA-N
• XLogP: 27.11
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.64
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine (CID 170016012) is 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cc7c8cccc(-c9ccc(-c%10nc(-c%11ccc%12ccc%13c%14ccccc%14ccc%13c%12c%11)nc(-c%11cccc%12oc%13cc(-c%14cccc(-c%15ccccc%15)c%14)ccc%13c%11%12)n%10)cc9)c8ccc7c7ccccc67)n5)c34)cc2)cc1.

What is the InChIKey of 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine?

The InChIKey is JCKIIYRCKMUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N6O2/c1-4-18-61(19-5-1)63-36-38-64(39-37-63)72-48-52-84-93(58-72)109-92-35-17-33-87(96(84)92)101-104-97(68-23-8-3-9-24-68)106-102(108-101)90-60-89-78-31-15-30-76(81(78)54-55-83(89)77-28-12-13-29-79(77)90)66-40-43-69(44-41-66)98-103-99(74-45-42-67-47-50-80-75-27-11-10-22-65(75)46-51-82(80)88(67)57-74)107-100(105-98)86-32-16-34-91-95(86)85-53-49-73(59-94(85)110-91)71-26-14-25-70(56-71)62-20-6-2-7-21-62/h1-60H.

What are the key properties of 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine?

2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 1401.64 g/mol, XLogP of 27.11, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 170016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).