10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine

C38H30Br2N4 — CID 171063686

IUPAC10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine
SMILESCc1ccccc1-c1nc(-c2ccc(N3c4ccc(Br)cc4C(C)(C)c4cc(Br)ccc43)cc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C38H30Br2N4/c1-23-9-5-7-11-29(23)36-41-35(42-37(43-36)30-12-8-6-10-24(30)2)25-13-17-28(18-14-25)44-33-19-15-26(39)21-31(33)38(3,4)32-22-27(40)16-20-34(32)44/h5-22H,1-4H3
InChIKeyZMEUQQRIZVRPTI-UHFFFAOYSA-N
MW702.49 g/mol
LogP11.12
Rot. Bonds4

About 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine

10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine (PubChem CID 171063686) has the molecular formula C38H30Br2N4 and a molecular weight of 702.49 g/mol. Its IUPAC name is 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine
PubChem CID171063686
Molecular FormulaC38H30Br2N4
Molecular Weight702.49 g/mol
Exact Mass700.08
IUPAC Name10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine
SMILESCc1ccccc1-c1nc(-c2ccc(N3c4ccc(Br)cc4C(C)(C)c4cc(Br)ccc43)cc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C38H30Br2N4/c1-23-9-5-7-11-29(23)36-41-35(42-37(43-36)30-12-8-6-10-24(30)2)25-13-17-28(18-14-25)44-33-19-15-26(39)21-31(33)38(3,4)32-22-27(40)16-20-34(32)44/h5-22H,1-4H3
InChIKeyZMEUQQRIZVRPTI-UHFFFAOYSA-N
XLogP11.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.49
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine?
The IUPAC name of 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine (CID 171063686) is 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine is Cc1ccccc1-c1nc(-c2ccc(N3c4ccc(Br)cc4C(C)(C)c4cc(Br)ccc43)cc2)nc(-c2ccccc2C)n1.
What is the InChIKey of 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine?
The InChIKey is ZMEUQQRIZVRPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Br2N4/c1-23-9-5-7-11-29(23)36-41-35(42-37(43-36)30-12-8-6-10-24(30)2)25-13-17-28(18-14-25)44-33-19-15-26(39)21-31(33)38(3,4)32-22-27(40)16-20-34(32)44/h5-22H,1-4H3.
What are the key properties of 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine?
10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine has a molecular weight of 702.49 g/mol, XLogP of 11.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine is sourced from PubChem (CID 171063686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).