2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole

C32H32N2 — CID 102500839

IUPAC2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
SMILESCC(C)(C)c1cc(C(c2ccccc2)c2ccc[nH]2)cc(C(c2ccccc2)c2ccc[nH]2)c1
InChIInChI=1S/C32H32N2/c1-32(2,3)27-21-25(30(28-16-10-18-33-28)23-12-6-4-7-13-23)20-26(22-27)31(29-17-11-19-34-29)24-14-8-5-9-15-24/h4-22,30-31,33-34H,1-3H3
InChIKeyJOIGGJPFEKWDIW-UHFFFAOYSA-N
MW444.62 g/mol
LogP8.00
Rot. Bonds6

About 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole

2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole (PubChem CID 102500839) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
PubChem CID102500839
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
SMILESCC(C)(C)c1cc(C(c2ccccc2)c2ccc[nH]2)cc(C(c2ccccc2)c2ccc[nH]2)c1
InChIInChI=1S/C32H32N2/c1-32(2,3)27-21-25(30(28-16-10-18-33-28)23-12-6-4-7-13-23)20-26(22-27)31(29-17-11-19-34-29)24-14-8-5-9-15-24/h4-22,30-31,33-34H,1-3H3
InChIKeyJOIGGJPFEKWDIW-UHFFFAOYSA-N
XLogP8.00
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(4-tert-butylphenyl)-[5-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]furan-2-yl]methyl]-1H-pyrrole
CID 11237190
2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82293454
2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
CID 90932009
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
2-[(4-methoxy-3,5-dimethylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371856
2-[naphthalen-2-yl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 102416621
2-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 172712190
1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 112742722
N-[phenyl(1H-pyrrol-2-yl)methyl]aniline
CID 174623449
azane;benzhydrylbenzene
CID 70581647
lithium benzhydrylbenzene
CID 18381038

Frequently Asked Questions

What is the IUPAC name of 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole?
The IUPAC name of 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole (CID 102500839) is 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole.
What is the SMILES notation for 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole?
The canonical SMILES for 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole is CC(C)(C)c1cc(C(c2ccccc2)c2ccc[nH]2)cc(C(c2ccccc2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole?
The InChIKey is JOIGGJPFEKWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-32(2,3)27-21-25(30(28-16-10-18-33-28)23-12-6-4-7-13-23)20-26(22-27)31(29-17-11-19-34-29)24-14-8-5-9-15-24/h4-22,30-31,33-34H,1-3H3.
What are the key properties of 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole?
2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole has a molecular weight of 444.62 g/mol, XLogP of 8.00, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole is sourced from PubChem (CID 102500839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).