2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole

C34H36N2 — CID 101493519

IUPAC2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
SMILESCc1cc(C)c(C(c2ccc(C(c3ccc[nH]3)c3c(C)cc(C)cc3C)cc2)c2ccc[nH]2)c(C)c1
InChIInChI=1S/C34H36N2/c1-21-17-23(3)31(24(4)18-21)33(29-9-7-15-35-29)27-11-13-28(14-12-27)34(30-10-8-16-36-30)32-25(5)19-22(2)20-26(32)6/h7-20,33-36H,1-6H3
InChIKeyNDFQNZVMRSGFGK-UHFFFAOYSA-N
MW472.68 g/mol
LogP8.55
Rot. Bonds6

About 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole

2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole (PubChem CID 101493519) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
PubChem CID101493519
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC Name2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
SMILESCc1cc(C)c(C(c2ccc(C(c3ccc[nH]3)c3c(C)cc(C)cc3C)cc2)c2ccc[nH]2)c(C)c1
InChIInChI=1S/C34H36N2/c1-21-17-23(3)31(24(4)18-21)33(29-9-7-15-35-29)27-11-13-28(14-12-27)34(30-10-8-16-36-30)32-25(5)19-22(2)20-26(32)6/h7-20,33-36H,1-6H3
InChIKeyNDFQNZVMRSGFGK-UHFFFAOYSA-N
XLogP8.55
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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2-[(4-methylthiophen-2-yl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 122381743
[4-[bis(1H-pyrrol-2-yl)methyl]-3,5-dimethylphenyl] 2-chloroacetate
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CID 142974198
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CID 11237190
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3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole?
The IUPAC name of 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole (CID 101493519) is 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole is Cc1cc(C)c(C(c2ccc(C(c3ccc[nH]3)c3c(C)cc(C)cc3C)cc2)c2ccc[nH]2)c(C)c1.
What is the InChIKey of 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole?
The InChIKey is NDFQNZVMRSGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2/c1-21-17-23(3)31(24(4)18-21)33(29-9-7-15-35-29)27-11-13-28(14-12-27)34(30-10-8-16-36-30)32-25(5)19-22(2)20-26(32)6/h7-20,33-36H,1-6H3.
What are the key properties of 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole?
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole has a molecular weight of 472.68 g/mol, XLogP of 8.55, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole is sourced from PubChem (CID 101493519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).