YGKPAYMPHOBXLH-UHFFFAOYSA-N

Name: YGKPAYMPHOBXLH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅₂H₃₂F₆N₄ — CID 142502095

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole

SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)c12

InChIInChI=1S/C52H32F6N4/c1-59-39-18-7-5-16-35(39)47-43(59)24-22-33-31-14-3-9-20-41(31)61(49(33)47)45-27-37(29-12-11-13-30(26-29)51(53,54)55)38(52(56,57)58)28-46(45)62-42-21-10-4-15-32(42)34-23-25-44-48(50(34)62)36-17-6-8-19-40(36)60(44)2/h3-28H,1-2H3

InChIKeyYGKPAYMPHOBXLH-UHFFFAOYSA-N

MW826.84 g/mol

LogP14.88

Rot. Bonds3

About YGKPAYMPHOBXLH-UHFFFAOYSA-N

YGKPAYMPHOBXLH-UHFFFAOYSA-N (PubChem CID 142502095) has the molecular formula C₅₂H₃₂F₆N₄ and a molecular weight of 826.84 g/mol. Its IUPAC name is 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name	YGKPAYMPHOBXLH-UHFFFAOYSA-N
PubChem CID	142502095
Molecular Formula	C₅₂H₃₂F₆N₄
Molecular Weight	826.84 g/mol
Exact Mass	826.25
IUPAC Name	5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
SMILES	Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)c12
InChI	InChI=1S/C52H32F6N4/c1-59-39-18-7-5-16-35(39)47-43(59)24-22-33-31-14-3-9-20-41(31)61(49(33)47)45-27-37(29-12-11-13-30(26-29)51(53,54)55)38(52(56,57)58)28-46(45)62-42-21-10-4-15-32(42)34-23-25-44-48(50(34)62)36-17-6-8-19-40(36)60(44)2/h3-28H,1-2H3
InChIKey	YGKPAYMPHOBXLH-UHFFFAOYSA-N
XLogP	14.88
TPSA	19.72 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	62
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.84
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of YGKPAYMPHOBXLH-UHFFFAOYSA-N?

The IUPAC name of YGKPAYMPHOBXLH-UHFFFAOYSA-N (CID 142502095) is 5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for YGKPAYMPHOBXLH-UHFFFAOYSA-N?

The canonical SMILES for YGKPAYMPHOBXLH-UHFFFAOYSA-N is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cccc(C(F)(F)F)c4)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)c12.

What is the InChIKey of YGKPAYMPHOBXLH-UHFFFAOYSA-N?

The InChIKey is YGKPAYMPHOBXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F6N4/c1-59-39-18-7-5-16-35(39)47-43(59)24-22-33-31-14-3-9-20-41(31)61(49(33)47)45-27-37(29-12-11-13-30(26-29)51(53,54)55)38(52(56,57)58)28-46(45)62-42-21-10-4-15-32(42)34-23-25-44-48(50(34)62)36-17-6-8-19-40(36)60(44)2/h3-28H,1-2H3.

What are the key properties of YGKPAYMPHOBXLH-UHFFFAOYSA-N?

YGKPAYMPHOBXLH-UHFFFAOYSA-N has a molecular weight of 826.84 g/mol, XLogP of 14.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YGKPAYMPHOBXLH-UHFFFAOYSA-N is sourced from PubChem (CID 142502095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142502095 — identifiers, structure, computed properties (public domain)

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