2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C37H35F15N4 — CID 102449211

IUPAC2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFC1C(F)C(F)C(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)C4C(F)C(F)C(F)C(F)C4F)[nH]3)C3C(F)C(F)C(F)C(F)C3F)[nH]2)C(F)C1F
InChIInChI=1S/C37H35F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-37,53-56H
InChIKeyQNFZUFXWTAUINA-UHFFFAOYSA-N
MW820.69 g/mol
LogP9.36
Rot. Bonds9

About 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 102449211) has the molecular formula C37H35F15N4 and a molecular weight of 820.69 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID102449211
Molecular FormulaC37H35F15N4
Molecular Weight820.69 g/mol
Exact Mass820.26
IUPAC Name2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFC1C(F)C(F)C(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)C4C(F)C(F)C(F)C(F)C4F)[nH]3)C3C(F)C(F)C(F)C(F)C3F)[nH]2)C(F)C1F
InChIInChI=1S/C37H35F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-37,53-56H
InChIKeyQNFZUFXWTAUINA-UHFFFAOYSA-N
XLogP9.36
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.69
LogP ≤ 59.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole 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-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
1,1,1-Tris(3-indolyl)methane
CID 254323
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
N-[[3-[3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]-5-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 73211825
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
1,1,3-Tris(3-indolyl)butane
CID 11774054
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777
HIV-1 Inhibitor CN14_17
CID 156012001
10-(2-fluoro-4-pyridinyl)-5,15-bis(2,3,5,6-tetrafluorophenyl)-22,23-dihydro-21H-corrin
CID 162657394
5,10,15-tris(2-fluoro-4-pyridinyl)-22,23-dihydro-21H-corrin
CID 162673333
3,3'-(1H-Indol-3-ylmethylene)bis(2-methyl-1H-indole)
CID 11234661

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 102449211) is 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is FC1C(F)C(F)C(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)C4C(F)C(F)C(F)C(F)C4F)[nH]3)C3C(F)C(F)C(F)C(F)C3F)[nH]2)C(F)C1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is QNFZUFXWTAUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-37,53-56H.
What are the key properties of 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 820.69 g/mol, XLogP of 9.36, 9 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorocyclohexyl)-[5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorocyclohexyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 102449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).