1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine

C33H30N4 — CID 101454721

IUPAC1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CN(Cc3ccc(-c4ccccc4)[nH]3)Cc3ccc(-c4ccccc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C33H30N4/c1-4-10-25(11-5-1)31-19-16-28(34-31)22-37(23-29-17-20-32(35-29)26-12-6-2-7-13-26)24-30-18-21-33(36-30)27-14-8-3-9-15-27/h1-21,34-36H,22-24H2
InChIKeyLKWPLALFGJNFAO-UHFFFAOYSA-N
MW482.63 g/mol
LogP7.87
Rot. Bonds9

About 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine

1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine (PubChem CID 101454721) has the molecular formula C33H30N4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine
PubChem CID101454721
Molecular FormulaC33H30N4
Molecular Weight482.63 g/mol
Exact Mass482.25
IUPAC Name1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CN(Cc3ccc(-c4ccccc4)[nH]3)Cc3ccc(-c4ccccc4)[nH]3)[nH]2)cc1
InChIInChI=1S/C33H30N4/c1-4-10-25(11-5-1)31-19-16-28(34-31)22-37(23-29-17-20-32(35-29)26-12-6-2-7-13-26)24-30-18-21-33(36-30)27-14-8-3-9-15-27/h1-21,34-36H,22-24H2
InChIKeyLKWPLALFGJNFAO-UHFFFAOYSA-N
XLogP7.87
TPSA50.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 57.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-[4-(5-phenyl-1H-pyrrol-2-yl)phenyl]-1H-pyrrole
CID 129072505
5-phenyl-1H-pyrrol-2-ol
CID 66988557
2-(4-oxo-6-phenyl-1H-pyridin-2-yl)acetic acid
CID 133095787
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole
CID 70680091
6-[[bis[(6-oxo-1H-pyridin-2-yl)methyl]amino]methyl]-1H-pyridin-2-one
CID 102133151
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
3-[ethyl-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]amino]propanoic acid
CID 119191067
2-(5-phenyl-1H-pyrrol-2-yl)piperidine
CID 141234725
2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine
CID 102362915
N,5-diphenyl-1H-pyrrol-2-amine
CID 151095134
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine (CID 101454721) is 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine is c1ccc(-c2ccc(CN(Cc3ccc(-c4ccccc4)[nH]3)Cc3ccc(-c4ccccc4)[nH]3)[nH]2)cc1.
What is the InChIKey of 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine?
The InChIKey is LKWPLALFGJNFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4/c1-4-10-25(11-5-1)31-19-16-28(34-31)22-37(23-29-17-20-32(35-29)26-12-6-2-7-13-26)24-30-18-21-33(36-30)27-14-8-3-9-15-27/h1-21,34-36H,22-24H2.
What are the key properties of 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine?
1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine has a molecular weight of 482.63 g/mol, XLogP of 7.87, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrrol-2-yl)-N,N-bis[(5-phenyl-1H-pyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 101454721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).