2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole

C43H30F6N4 — CID 59364977

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
SMILESCC1=Nc2cc3c(cc2C1)CC(c1ccc(C2=Nc4cc5c(cc4C2)CC(c2ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc2)=N5)cc1)=N3
InChIInChI=1S/C43H30F6N4/c1-23-3-11-32(12-4-23)41(42(44,45)46,43(47,48)49)33-13-9-27(10-14-33)36-20-31-17-30-19-35(52-39(30)22-40(31)53-36)26-7-5-25(6-8-26)34-18-29-16-28-15-24(2)50-37(28)21-38(29)51-34/h3-14,16-17,21-22H,15,18-20H2,1-2H3
InChIKeyXCNQOBOSAMQWCX-UHFFFAOYSA-N
MW716.73 g/mol
LogP11.08
Rot. Bonds5

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole

2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole (PubChem CID 59364977) has the molecular formula C43H30F6N4 and a molecular weight of 716.73 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
PubChem CID59364977
Molecular FormulaC43H30F6N4
Molecular Weight716.73 g/mol
Exact Mass716.24
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
SMILESCC1=Nc2cc3c(cc2C1)CC(c1ccc(C2=Nc4cc5c(cc4C2)CC(c2ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc2)=N5)cc1)=N3
InChIInChI=1S/C43H30F6N4/c1-23-3-11-32(12-4-23)41(42(44,45)46,43(47,48)49)33-13-9-27(10-14-33)36-20-31-17-30-19-35(52-39(30)22-40(31)53-36)26-7-5-25(6-8-26)34-18-29-16-28-15-24(2)50-37(28)21-38(29)51-34/h3-14,16-17,21-22H,15,18-20H2,1-2H3
InChIKeyXCNQOBOSAMQWCX-UHFFFAOYSA-N
XLogP11.08
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.73
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole?
The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole (CID 59364977) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole is CC1=Nc2cc3c(cc2C1)CC(c1ccc(C2=Nc4cc5c(cc4C2)CC(c2ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc2)=N5)cc1)=N3.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole?
The InChIKey is XCNQOBOSAMQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30F6N4/c1-23-3-11-32(12-4-23)41(42(44,45)46,43(47,48)49)33-13-9-27(10-14-33)36-20-31-17-30-19-35(52-39(30)22-40(31)53-36)26-7-5-25(6-8-26)34-18-29-16-28-15-24(2)50-37(28)21-38(29)51-34/h3-14,16-17,21-22H,15,18-20H2,1-2H3.
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole?
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole has a molecular weight of 716.73 g/mol, XLogP of 11.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole is sourced from PubChem (CID 59364977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).